SCHEMBL909449

SCHEMBL909449

Oc1ncccc1C(F)(F)F

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.44
TNF P01375 1/20 0.44
CXCL8 P10145 1/20 0.44
KMT2A Q03164 1/20 0.44
PAX8 Q06710 1/20 0.44
KLF5 Q13887 1/20 0.44
EPHX2 P34913 1/20 0.43
TRPM8 Q7Z2W7 2/20 0.40
CTNNB1 P35222 1/20 0.40
WNT3A P56704 1/20 0.40
KDM4E B2RXH2 1/20 0.40
LMNA P02545 1/20 0.40
TRPV1 Q8NER1 3/20 0.39
HSD11B1 P28845 2/20 0.39
GAA P10253 1/20 0.38
DHODH Q02127 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
NFE2L2 Q16236 2/20 0.37

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL6370607 0.79 CA2 (0.52) KMT2AKDM4ELMNANFE2L2
SCHEMBL8765692 0.77 ALDH1A1 (0.34) MEN1TNFCXCL8KMT2APAX8
SCHEMBL15624412 0.76 TRPV1 (0.47) EPHX2TRPV1
SCHEMBL31009386 0.74 EPHX2 (0.44) MEN1TNFCXCL8KMT2APAX8
SCHEMBL31608519 0.74 EPHX2 (0.44) MEN1TNFCXCL8KMT2APAX8
SCHEMBL8436654 0.74 EPHX2 (0.44) MEN1TNFCXCL8KMT2APAX8
SCHEMBL610024 0.74 EPHX2 (0.44) MEN1TNFCXCL8KMT2APAX8
SCHEMBL11972375 0.74 CA2 (0.37) KMT2AKDM4E
SCHEMBL8138183 0.74 CNR2 (0.41) MEN1TNFCXCL8KMT2APAX8
SCHEMBL162911 0.73 EPHX2 (0.43) MEN1TNFCXCL8KMT2APAX8

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 547 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113248424-A Novel microchannel preparation process of 2-hydroxy-3-trifluoromethyl-5-nitropyridine 甘肃安卓幸制药有限公司 2021-08-13 CN claimed
CN-112441966-A Method for producing 2-chloro-3-trifluoromethylpyridine from 2,3, 6-trichloro-5-trifluoromethylpyridine 山东省农药科学研究院 2021-03-05 CN claimed
CN-111269205-A Preparation method of C-aryl glycoside compound 华侨大学 2020-06-12 CN claimed
CN-110256184-A A kind of three replace the preparation method of connection ene derivative 华侨大学 2019-09-20 CN claimed
CN-109879899-A A kind of preparation method of trans- three substituted olefines derivative 华侨大学 2019-06-14 CN claimed
CN-109021003-A A kind of vinyl silicon germanium stannane derivative preparation method 华侨大学 2018-12-18 CN claimed
EP-2350090-B1 SPIRO-OXINDOLE COMPOUNDS AND THEIR USE AS THERAPEUTIC AGENTS XENON PHARMACEUTICALS INC (CA) 2015-06-03 EP claimed
US-8263606-B2 Spiro-oxindole compounds and their use as therapeutic agents XENON PHARMACEUTICALS INC. (CA) 2012-09-11 US claimed
EP-2350090-A2 SPIRO-OXINDOLE COMPOUNDS AND THEIR USE AS THERAPEUTIC AGENTS Xenon Pharmaceuticals Inc. (CA) 2011-08-03 EP claimed
US-20100137299-A1 SPIRO-OXINDOLE COMPOUNDS AND THEIR USE AS THERAPEUTIC AGENTS XENON PHARMACEUTICALS INC. (CA) 2010-06-03 US claimed
US-20030105100-A1 Substituted polycyclic aryl and heteroaryl tertiary-heteroalkylamines useful for inhibiting cholesteryl ester transfer protein activity G.D. SEARLE & CO. 2003-06-05 US claimed
US-20030100559-A1 Substituted polycyclic aryl and heteroaryl tertiary-heteroalkylamines useful for inhibiting cholesteryl ester transfer protein activity G.D. SEARLE & CO. 2003-05-29 US claimed
US-20030096818-A1 Substituted polycyclic aryl and heteroaryl tertiary-heteroalkylamines useful for inhibiting cholesteryl ester transfer protein activity G.D. SEARLE & CO. (US) 2003-05-22 US claimed
US-20030087905-A1 Substituted polycyclic aryl and heteroaryl tertiary-heteroalkylamines useful for inhibiting cholesteryl ester transfer protein activity G.D. SEARLE & CO. 2003-05-08 US claimed
US-20030083331-A1 Substituted polycyclic aryl and heteroaryl tertiary-heteroalkylamines useful for inhibiting cholesteryl ester transfer protein activity G.D. SEARLE & CO. (US) 2003-05-01 US claimed
US-20030032644-A1 Substituted polycyclic aryl and heteroaryl tertiary-heteroalkylamines useful for inhibiting cholesteryl ester transfer protein activity G.D. SEARLE & CO. 2003-02-13 US claimed
US-20020165232-A1 Substituted N, N-disubstituted cycloalkyl aminoalcohol compounds useful for inhibiting cholesteryl ester transfer protein activity SIKORSKI JAMES A (US) 2002-11-07 US claimed
US-20020165231-A1 Substituted N-heteroaryl-N-phenyl aminoalcohol compounds useful for inhibiting cholesteryl ester transfer protein activity SIKORSKI JAMES A (US) 2002-11-07 US claimed
EP-1115693-A1 SUBSTITUTED POLYCYCLIC ARYL AND HETEROARYL $i(TERTIARY)-HETEROALKYLAMINES USEFUL FOR INHIBITING CHOLESTERYL ESTER TRANSFER PROTEIN ACTIVITY Monsanto Company (US) 2001-07-18 EP claimed
WO-2000018721-A1 SUBSTITUTED POLYCYCLIC ARYL AND HETEROARYL TERTIARY-HETEROALKYLAMINES USEFUL FOR INHIBITING CHOLESTERYL ESTER TRANSFER PROTEIN ACTIVITY MONSANTO COMPANY (US) 2000-04-06 WO claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (9 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20030105100-A1 Substituted polycyclic aryl and heteroaryl tertiary-heteroalkylamines useful for inhibiting cholesteryl ester transfer protein activity CETP, MTTP, LCAT MEN1 4599/4885TNF 4509/4885CXCL8 3417/4885
US-20030096818-A1 Substituted polycyclic aryl and heteroaryl tertiary-heteroalkylamines useful for inhibiting cholesteryl ester transfer protein activity CETP, MTTP, LCAT MEN1 4599/4885TNF 4509/4885CXCL8 3417/4885
US-20020165231-A1 Substituted N-heteroaryl-N-phenyl aminoalcohol compounds useful for inhibiting cholesteryl ester transfer protein activity CETP, LCAT, MTTP MEN1 4618/4885TNF 4440/4885CXCL8 3101/4885
US-20030087905-A1 Substituted polycyclic aryl and heteroaryl tertiary-heteroalkylamines useful for inhibiting cholesteryl ester transfer protein activity CETP, MTTP, LCAT MEN1 4599/4885TNF 4509/4885CXCL8 3417/4885
US-20030100559-A1 Substituted polycyclic aryl and heteroaryl tertiary-heteroalkylamines useful for inhibiting cholesteryl ester transfer protein activity CETP, MTTP, LCAT MEN1 4599/4885TNF 4509/4885CXCL8 3417/4885
US-20030083331-A1 Substituted polycyclic aryl and heteroaryl tertiary-heteroalkylamines useful for inhibiting cholesteryl ester transfer protein activity CETP, MTTP, LCAT MEN1 4599/4885TNF 4509/4885CXCL8 3417/4885
US-20030032644-A1 Substituted polycyclic aryl and heteroaryl tertiary-heteroalkylamines useful for inhibiting cholesteryl ester transfer protein activity CETP, MTTP, PCTP MEN1 3887/4885TNF 4524/4885CXCL8 4100/4885
US-20020165232-A1 Substituted N, N-disubstituted cycloalkyl aminoalcohol compounds useful for inhibiting cholesteryl ester transfer protein activity CETP, DBI, PLTP MEN1 4595/4885TNF 4211/4885CXCL8 2687/4885
US-20100137299-A1 SPIRO-OXINDOLE COMPOUNDS AND THEIR USE AS THERAPEUTIC AGENTS TRPV3, TRPV1, TRPC3 MEN1 2591/4885TNF 2801/4885CXCL8 1979/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.