SCHEMBL830072

SCHEMBL830072

Cc1ccc(-c2cc(C(F)(F)F)c(C(=O)O)c(OCC(C)C)n2)cc1F

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
XDH P47989 5/20 0.45
KMO O15229 4/20 0.45
ALDH1A1 P00352 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
AKR1C3 P42330 2/20 0.41
AKR1C2 P52895 2/20 0.41
AKR1B10 O60218 1/20 0.41
AKR1C4 P17516 1/20 0.41
AKR1C1 Q04828 1/20 0.41
AAK1 Q2M2I8 2/20 0.39
DHODH Q02127 2/20 0.39
SYK P43405 1/20 0.36
TARBP2 Q15633 1/20 0.35
SCN5A Q14524 1/20 0.35
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
SCHEMBL832288 0.90 KMO (0.43) XDHKMOALDH1A1L3MBTL1AKR1C3
SCHEMBL831110 0.90 ALDH1A1 (0.44) XDHKMOALDH1A1L3MBTL1AKR1C3
SCHEMBL829626 0.89 ALDH1A1 (0.50) KMOALDH1A1L3MBTL1AKR1C3AKR1C2
SCHEMBL831302 0.87 XDH (0.48) XDHALDH1A1L3MBTL1AKR1C3AKR1C2
SCHEMBL831013 0.86 KMO (0.45) KMOALDH1A1L3MBTL1AKR1C3AKR1C2
SCHEMBL829557 0.84 XDH (0.45) XDHKMOALDH1A1L3MBTL1AAK1
SCHEMBL831459 0.84 KMO (0.43) KMOALDH1A1L3MBTL1AKR1C3AKR1C2
SCHEMBL831823 0.82 KMO (0.42) KMOALDH1A1L3MBTL1AKR1C3AKR1C2
SCHEMBL831313 0.82 KMO (0.42) KMOALDH1A1L3MBTL1AKR1C3AKR1C2
SCHEMBL831371 0.82 KMO (0.45) XDHKMOALDH1A1L3MBTL1AKR1C3

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 XDH 233/4885KMO 2954/4885ALDH1A1 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.