SCHEMBL831148

SCHEMBL831148

Cc1nc(-c2cccc(F)c2)cc(CC(C)C)c1C(=O)O

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KMO O15229 2/20 0.44
CNR2 P34972 2/20 0.42
TRPM8 Q7Z2W7 2/20 0.41
DPP4 P27487 3/20 0.41
DPP8 Q6V1X1 2/20 0.41
DPP9 Q86TI2 1/20 0.40
DHODH Q02127 3/20 0.40
DCLRE1B Q9H816 1/20 0.39
PIN1 Q13526 1/20 0.38
CNR1 P21554 1/20 0.38
PTGES O14684 1/20 0.38
KDM4E B2RXH2 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
VCP P55072 1/20 0.38
PIK3CA P42336 1/20 0.37
PIK3CG P48736 1/20 0.37

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
SCHEMBL830411 0.88 DPP4 (0.41) DPP4DPP8DPP9DHODHSMN1; SMN2
SCHEMBL832295 0.86 ALDH1A1 (0.50) CNR2TRPM8KDM4ESMN1; SMN2
SCHEMBL833067 0.86 CNR2 (0.43) KMOCNR2TRPM8DPP4DHODH
SCHEMBL831687 0.86 KMO (0.48) KMODPP4DPP8DPP9DHODH
SCHEMBL831717 0.77 CNR2 (0.41) KMOCNR2TRPM8DPP4DHODH
SCHEMBL839855 0.76 GFER (0.42) KMODPP4DPP8DHODHPIN1
Potassium SCHEMBL830614 0.75 GFER (0.41) KMODPP4DPP8DHODHPIN1
SCHEMBL830612 0.75 GFER (0.41) KMODPP4DPP8DHODHPIN1
SCHEMBL831580 0.74 ALDH1A1 (0.51) KDM4ESMN1; SMN2
SCHEMBL9784596 0.74 ALDH1A1 (0.51) KDM4ESMN1; SMN2

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 2954/4885CNR2 4623/4885TRPM8 3968/4885

“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.