SCHEMBL831717

SCHEMBL831717

CCc1nc(-c2cccc(F)c2)cc(CC(C)C)c1C(=O)OC

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 2/20 0.41
TRPV3 Q8NET8 1/20 0.41
ADORA3 P0DMS8 1/20 0.40
DPP4 P27487 1/20 0.39
TRPM8 Q7Z2W7 3/20 0.38
PTGES O14684 1/20 0.37
DHODH Q02127 1/20 0.37
PFKFB3 Q16875 1/20 0.37
RPS6KB1 P23443 1/20 0.36
CSNK1D P48730 1/20 0.36
GSK3A P49840 1/20 0.36
GSK3B P49841 1/20 0.36
DYRK1A Q13627 1/20 0.36
NTRK2 Q16620 1/20 0.36
AURKB Q96GD4 1/20 0.36
MAP4K4 O95819 1/20 0.36
JAK2 O60674 1/20 0.36
JAK3 P52333 1/20 0.36
ADORA2A P29274 1/20 0.36
ADORA1 P30542 1/20 0.36

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
SCHEMBL832148 0.89 TRPV3 (0.36) CNR2TRPV3ADORA3DHODHGSK3B
SCHEMBL833067 0.88 CNR2 (0.43) CNR2TRPV3ADORA3DPP4TRPM8
SCHEMBL830487 0.86 SLC6A3 (0.39) TRPV3PTGESDHODHPOLBKMO
SCHEMBL830293 0.82 ADORA3 (0.41) ADORA3DPP4ADORA1POLB
SCHEMBL831416 0.81 MAPT (0.43) CNR2ADORA3POLBCNR1
SCHEMBL832295 0.80 ALDH1A1 (0.50) CNR2ADORA3TRPM8CSNK1DJAK2
SCHEMBL831148 0.77 KMO (0.44) CNR2DPP4TRPM8PTGESDHODH
SCHEMBL829550 0.76 DHODH (0.36) TRPV3DPP4DHODH
SCHEMBL831040 0.74 LMNA (0.36) CNR2ADORA3GSK3BPOLB
SCHEMBL830490 0.74 KMO (0.46) TRPV3DPP4PTGESDHODHKMO

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 CNR2 4623/4885TRPV3 4035/4885ADORA3 1475/4885

“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.