Sugi Predict

Sugi Predict / Compounds / SCHEMBL829581

SCHEMBL829581

SCHEMBL829581

COC(=O)c1c(C(F)(F)F)cc(-c2ccc(Cl)c(F)c2)nc1Cl

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NOTUM Q6P988 2/20 0.46
▸ ALDH1A1 P00352 2/20 0.45
▸ L3MBTL1 Q9Y468 2/20 0.45
▸ ABL1 P00519 1/20 0.44
▸ KMO O15229 3/20 0.42
▸ CYP11B2 P19099 2/20 0.39
▸ CYP11B1 P15538 1/20 0.38
▸ MAPT P10636 2/20 0.38
▸ PDGFRB P09619 1/20 0.38
▸ KDR P35968 1/20 0.38
▸ CNR2 P34972 1/20 0.38
▸ HPGD P15428 1/20 0.38
▸ TSHR P16473 1/20 0.38
▸ CASP1 P29466 1/20 0.38
▸ HSD17B10 Q99714 1/20 0.38
▸ KDM4E B2RXH2 1/20 0.37
▸ SCN9A Q15858 1/20 0.37
▸ FAAH O00519 2/20 0.37
▸ ERCC5 P28715 1/20 0.37
▸ FEN1 P39748 1/20 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
SCHEMBL830911 0.91 ALDH1A1 (0.47) NOTUMALDH1A1L3MBTL1KMOCYP11B2
SCHEMBL832236 0.91 NOTUM (0.47) NOTUMALDH1A1L3MBTL1ABL1KMO
SCHEMBL832309 0.86 ALDH1A1 (0.46) NOTUMALDH1A1L3MBTL1MAPTHPGD
SCHEMBL832221 0.85 MAPT (0.50) NOTUMALDH1A1L3MBTL1MAPTHPGD
SCHEMBL830774 0.84 SMN1; SMN2 (0.51) NOTUMALDH1A1L3MBTL1MAPTHPGD
SCHEMBL831022 0.84 ALDH1A1 (0.47) NOTUMALDH1A1L3MBTL1MAPTHPGD
SCHEMBL831503 0.83 ALDH1A1 (0.46) NOTUMALDH1A1L3MBTL1MAPTHPGD
SCHEMBL3749599 0.76 ALDH1A1 (0.44) ALDH1A1L3MBTL1KMOCYP11B2CYP11B1
SCHEMBL831077 0.76 NOTUM (0.41) NOTUMALDH1A1L3MBTL1MAPTKDM4E
SCHEMBL24987946 0.75 CYP11B2 (0.47) NOTUML3MBTL1ABL1KMOCYP11B2

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8143411-B2 Substituted 6-phenylnicotinic acids and their use BAYER ANIMAL HEALTH GMBH (DE) 2012-03-27 — — US disclosed
US-8143411-B2 Substituted 6-phenylnicotinic acids and their use BAYER ANIMAL HEALTH GMBH (DE) 2012-03-27 — — US disclosed
US-8143411-B2 Substituted 6-phenylnicotinic acids and their use BAYER ANIMAL HEALTH GMBH (DE) 2012-03-27 — — US disclosed
US-20100234432-A1 Substituted 6-phenylnicotinic acids and their use BAYER ANIMAL HEALTH GMBH (DE) 2010-09-16 — — US disclosed
US-20100234432-A1 Substituted 6-phenylnicotinic acids and their use BAYER ANIMAL HEALTH GMBH (DE) 2010-09-16 — — US disclosed
US-20100234432-A1 Substituted 6-phenylnicotinic acids and their use BAYER ANIMAL HEALTH GMBH (DE) 2010-09-16 — — US disclosed
WO-2009033561-A1 SUBSTITUTED 6-PHEYLNICOTINIC ACIDS AND THE USE THEREOF BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2009-03-19 — — WO 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 (1 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-20100234432-A1 Substituted 6-phenylnicotinic acids and their use SLC5A6, FABP3, NAPRT NOTUM 761/4885ALDH1A1 1238/4885L3MBTL1 823/4885

“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.