SCHEMBL831698

SCHEMBL831698

CC(C)CCOc1nc(-c2ccc(Cl)c(F)c2)cc(C(F)(F)F)c1C(=O)O

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KMO O15229 6/20 0.43
ALDH1A1 P00352 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
XDH P47989 5/20 0.38
FAAH O00519 2/20 0.36
KDM4C Q9H3R0 1/20 0.36
AAK1 Q2M2I8 1/20 0.36
PTGES O14684 1/20 0.36
ABL1 P00519 1/20 0.36
SCN9A Q15858 1/20 0.35

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
SCHEMBL831092 0.92 KMO (0.42) KMOALDH1A1L3MBTL1XDH
SCHEMBL832288 0.89 KMO (0.43) KMOALDH1A1L3MBTL1XDHAAK1
SCHEMBL831894 0.87 KMO (0.43) KMOALDH1A1L3MBTL1FAAHKDM4C
SCHEMBL831844 0.85 ALDH1A1 (0.42) ALDH1A1L3MBTL1XDHAAK1
SCHEMBL830819 0.84 ALDH1A1 (0.40) ALDH1A1L3MBTL1XDHAAK1
SCHEMBL830072 0.79 XDH (0.45) KMOALDH1A1L3MBTL1XDHAAK1
SCHEMBL831794 0.79 KMO (0.43) KMOALDH1A1L3MBTL1
SCHEMBL830078 0.79 ALDH1A1 (0.46) KMOALDH1A1L3MBTL1
SCHEMBL829557 0.78 XDH (0.45) KMOALDH1A1L3MBTL1XDHAAK1
SCHEMBL829626 0.76 ALDH1A1 (0.50) KMOALDH1A1L3MBTL1

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 KMO 2954/4885ALDH1A1 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.