SCHEMBL831624

SCHEMBL831624

CC(C)Oc1nc(-c2ccc(Br)cc2)cc(C(F)(F)F)c1C(=O)O

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
EPRS1 P07814 3/20 0.48
ALDH1A1 P00352 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
MCL1 Q07820 7/20 0.42
DHODH Q02127 1/20 0.39
PTGS1 P23219 1/20 0.39
PTGS2 P35354 1/20 0.39
RXRA P19793 1/20 0.39
RXRB P28702 1/20 0.39
RXRG P48443 1/20 0.39
XDH P47989 1/20 0.38
KDM4E B2RXH2 1/20 0.38
RXFP1 Q9HBX9 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
SCHEMBL831291 0.88 POLB (0.43) ALDH1A1L3MBTL1MCL1DHODHPTGS1
SCHEMBL831013 0.85 KMO (0.45) ALDH1A1L3MBTL1MCL1PTGS1PTGS2
SCHEMBL831055 0.80 EPRS1 (0.45) EPRS1ALDH1A1L3MBTL1MCL1KDM4E
SCHEMBL831107 0.77 MAPT (0.45) ALDH1A1L3MBTL1PTGS1PTGS2KDM4E
SCHEMBL8073401 0.76 L3MBTL1 (0.43) ALDH1A1L3MBTL1PTGS1PTGS2RXRA
SCHEMBL830022 0.76 POLB (0.42) ALDH1A1L3MBTL1DHODHKDM4ERXFP1
SCHEMBL839946 0.75 MDM2 (0.40) ALDH1A1L3MBTL1
SCHEMBL831302 0.75 XDH (0.48) ALDH1A1L3MBTL1DHODHXDHKDM4E
SCHEMBL832431 0.75 ALDH1A1 (0.43) ALDH1A1L3MBTL1DHODHPTGS1PTGS2
SCHEMBL832712 0.75 MAPT (0.41) ALDH1A1L3MBTL1DHODHKDM4ERXFP1

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 EPRS1 2153/4885ALDH1A1 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.