SCHEMBL892933

SCHEMBL892933

O=C(O)Cc1ccc(F)c(F)c1F

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CES2 O00748 1/20 0.45
CES1 P23141 1/20 0.45
CXCL8 P10145 2/20 0.44
AKR1B1 P15121 2/20 0.43
RIPK1 Q13546 1/20 0.42
CA2 P00918 1/20 0.40
P2RX7 Q99572 4/20 0.39
TSHR P16473 1/20 0.39
TDP1 Q9NUW8 1/20 0.38
MMP1 P03956 1/20 0.38
MMP2 P08253 1/20 0.38
MMP3 P08254 1/20 0.38
MMP9 P14780 1/20 0.38
MMP12 P39900 1/20 0.38
MMP13 P45452 1/20 0.38
MMP14 P50281 1/20 0.38
SRC P12931 1/20 0.38

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
SCHEMBL29459927 1.00 CES2 (0.45) CES2CES1CXCL8AKR1B1RIPK1
SCHEMBL30517175 0.98 CES2 (0.43) CES2CES1CXCL8AKR1B1RIPK1
Methyl Alcohol SCHEMBL17241181 0.96 RIPK1 (0.44) CES2CES1CXCL8AKR1B1RIPK1
SCHEMBL6864273 0.84 CES2 (0.46) CES2CES1RIPK1CA2P2RX7
SCHEMBL31551958 0.84 CES2 (0.39) CES2CES1CXCL8RIPK1CA2
SCHEMBL25040843 0.83 CXCL8 (0.42) CES2CES1CXCL8AKR1B1P2RX7
SCHEMBL3150817 0.83 AKR1B1 (0.45) CES2CES1CXCL8AKR1B1CA2
SCHEMBL30759635 0.83 CXCL8 (0.42) CES2CES1CXCL8AKR1B1P2RX7
SCHEMBL31584219 0.83 RXRA (0.44) CES2CES1CXCL8AKR1B1RIPK1
SCHEMBL29009912 0.83 RXRA (0.44) CES2CES1CXCL8AKR1B1RIPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118290254-A Rare earth complex for zinc battery electrolyte and preparation method and application thereof 中国科学院赣江创新研究院 2024-07-05 CN claimed
US-20230048657-A1 PROCESS FOR THE PREPARATION OF (9S)-2-BROMO-9-(2,3,4-TRIFLUOROPHENYL)-6,7,8,9-TETRAHYDRO-5H-[1,2,4]TRIAZOLO[1,5-A]AZEPINE HOFFMANN-LA ROCHE INC. (US) 2023-02-16 US claimed
EP-4065581-A1 PROCESS FOR THE PREPARATION (9S)-2-BROMO-9-(2,3,4-TRIFLUOROPHENYL)-6,7,8,9-TETRAHYDRO-5H-[1,2,4]TRIAZOLO[1,5-A]AZEPINE F. Hoffmann-La Roche AG (CH) 2022-10-05 EP claimed
CN-114787163-A Process for preparing (9S) -2-bromo-9- (2,3, 4-trifluorophenyl) -6,7,8, 9-tetrahydro-5H- [1,2,4] triazolo [1,5-a ] azepine 豪夫迈·罗氏有限公司 2022-07-22 CN claimed
WO-2021105337-A1 PROCESS FOR THE PREPARATION (9S)-2-BROMO-9-(2,3,4-TRIFLUOROPHENYL)-6,7,8,9-TETRAHYDRO-5H-[1,2,4]TRIAZOLO[1,5-A]AZEPINE F. HOFFMANN-LA ROCHE AG (CH) 2021-06-03 WO claimed
CN-107502412-B High-temperature-resistant magnesium salt lubricating oil detergent and preparation method thereof 黄山学院 2020-02-14 CN claimed
EP-3114715-B1 P-DOPING CROSS-LINKING OF ORGANIC HOLE TRANSPORTERS SIEMENS AG (DE) 2019-10-30 EP claimed
EP-3114715-A1 P-DOPING CROSS-LINKING OF ORGANIC HOLE TRANSPORTERS Siemens Aktiengesellschaft (DE) 2017-01-11 EP claimed
WO-2010122578-A2 PROCESS FOR THE PREPARATION OF SITAGLIPTIN AND ITS INTERMEDIATES MSN LABORATORIES LIMITED (IN) 2010-10-28 WO claimed
US-6870067-B2 Process for the synthesis of trifluorophenylacetic acids MERCK & CO., INC. (US) 2005-03-22 US claimed
US-20040077901-A1 Process for the synthesis of trifluorophenylacetic acids MERCK SHARP & DOHME LLC 2004-04-22 US claimed
EP-4151620-B1 METHOD FOR PREPARING CHIRAL 4-ARYL-BETA-AMINO ACID DERIVATIVE ZHEJIANG MED XINCHANG PHARM (CN) 2026-04-08 EP disclosed
US-12534427-B2 Method for preparing chiral 4-aryl-β-amino acid derivative ZHEJIANG MEDICINE CO., LTD. XINCHANG PHARMACEUTICAL FACTORY (CN) 2026-01-27 US disclosed
US-12528828-B2 Substituted pyrido[4,3-d]pyrimidines as KRAS modulators ALTEROME THERAPEUTICS, INC. (US) 2026-01-20 US disclosed
US-20250346610-A1 SUBSTITUTED PYRIDO[4,3-d]PYRIMIDINES AS KRAS MODULATORS ALTEROME THERAPEUTICS INC (US) 2025-11-13 US disclosed
EP-0841063-A1 KETONE DERIVATIVES AND MEDICINAL USE THEREOF TORAY INDUSTRIES, INC. (JP) 1998-05-13 EP disclosed
US-5744458-A ANALGESICS ADOLOR CORPORATION (US) 1998-04-28 US disclosed
US-5688955-A ANALGESICS ADOLOR CORPORATION (US) 1997-11-18 US disclosed
WO-1997032857-A1 KAPPA AGONIST COMPOUNDS AND PHARMACEUTICAL FORMULATIONS THEREOF ADOLOR CORPORATION (US) 1997-09-12 WO disclosed
EP-0457243-A1 Novel tricyclic compounds SYNTEX (U.S.A.) INC. (US) 1991-11-21 EP disclosed

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

For each of this compound's patents that has machine-readable text (5 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-20230048657-A1 PROCESS FOR THE PREPARATION OF (9S)-2-BROMO-9-(2,3,4-TRIFLUOROPHENYL)-6,7,8,9-TETRAHYDRO-5H-[1,2,4]TRIAZOLO[1,5-A]AZEPINE APP, PSEN1, PSEN2 CES2 1982/4885CES1 1767/4885CXCL8 921/4885
US-12534427-B2 Method for preparing chiral 4-aryl-β-amino acid derivative OPRM1, SIGMAR1, GLRB CES2 2328/4885CES1 2641/4885CXCL8 3346/4885
US-20250346610-A1 SUBSTITUTED PYRIDO[4,3-d]PYRIMIDINES AS KRAS MODULATORS KRAS, NRAS, HRAS CES2 4885/4885CES1 4334/4885CXCL8 4337/4885
US-12528828-B2 Substituted pyrido[4,3-d]pyrimidines as KRAS modulators KRAS, NRAS, HRAS CES2 4773/4885CES1 2321/4885CXCL8 3409/4885
US-20040077901-A1 Process for the synthesis of trifluorophenylacetic acids GRHPR, PFAS, PCCA CES2 1431/4885CES1 2759/4885CXCL8 4550/4885

“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.