SCHEMBL832414

SCHEMBL832414

CCc1nc(-c2ccc(C(F)(F)F)cc2)cc(OC(C)C)c1C(=O)OC

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 1/20 0.41
TRPV3 Q8NET8 9/20 0.40
ALDH1A1 P00352 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
TDO2 P48775 1/20 0.38
SCN9A Q15858 1/20 0.37
PPARD Q03181 1/20 0.37
PTGS1 P23219 1/20 0.36
PTGS2 P35354 1/20 0.36
AKR1C3 P42330 1/20 0.36
AKR1C2 P52895 1/20 0.36
RXRA P19793 1/20 0.36
RXRB P28702 1/20 0.36
RXRG P48443 1/20 0.36
SMN1; SMN2 Q16637 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
SCHEMBL831714 0.89 MCL1 (0.40) ADORA3TRPV3SCN9APPARDPTGS1
SCHEMBL831391 0.86 SCN8A (0.40) ADORA3TRPV3PPARD
SCHEMBL831311 0.86 MAPT (0.43) ADORA3ALDH1A1L3MBTL1SMN1; SMN2
SCHEMBL832657 0.75 XDH (0.42) ADORA3TRPV3PPARD
SCHEMBL830689 0.72 MAPT (0.44) ADORA3ALDH1A1L3MBTL1SMN1; SMN2
SCHEMBL831022 0.69 ALDH1A1 (0.47) ADORA3ALDH1A1L3MBTL1TDO2PPARD
SCHEMBL830293 0.69 ADORA3 (0.41) ADORA3ALDH1A1SMN1; SMN2
SCHEMBL831416 0.68 MAPT (0.43) ADORA3ALDH1A1L3MBTL1SMN1; SMN2
SCHEMBL21944871 0.68 ADORA3 (0.60) ADORA3ALDH1A1L3MBTL1SCN9APPARD
SCHEMBL15534617 0.68 ADORA3 (0.50) ADORA3ALDH1A1L3MBTL1TDO2SCN9A

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 ADORA3 1475/4885TRPV3 4035/4885ALDH1A1 1238/4885

“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.