SCHEMBL829550

SCHEMBL829550

CCc1nc(-c2cc(F)cc(F)c2)cc(CC(C)C)c1C(=O)O

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 3/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
TRPV3 Q8NET8 1/20 0.36
LMNA P02545 1/20 0.36
HPGD P15428 1/20 0.36
CRHBP P24387 1/20 0.36
HTT P42858 1/20 0.36
CRHR2 Q13324 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
DPP4 P27487 6/20 0.35
DPP8 Q6V1X1 4/20 0.35
DPP9 Q86TI2 3/20 0.34
FABP3 P05413 1/20 0.34
FABP4 P15090 1/20 0.34
FABP5 Q01469 1/20 0.34
PDE4A P27815 1/20 0.34
CTSA P10619 1/20 0.33
ESR1 P03372 2/20 0.32
ESR2 Q92731 2/20 0.32

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
SCHEMBL833067 0.88 CNR2 (0.43) DHODHTRPV3SMN1; SMN2DPP4FABP3
SCHEMBL832148 0.87 TRPV3 (0.36) DHODHMEN1KMT2ATRPV3LMNA
SCHEMBL830490 0.85 KMO (0.46) DHODHTRPV3DPP4DPP8DPP9
SCHEMBL830411 0.85 DPP4 (0.41) DHODHMEN1KMT2ATRPV3LMNA
SCHEMBL832260 0.82 DPP4 (0.50) DHODHSMN1; SMN2DPP4DPP8DPP9
SCHEMBL831048 0.81 FABP3 (0.46) DHODHMEN1KMT2ALMNAHPGD
SCHEMBL832625 0.81 DHODH (0.36) DHODHMEN1KMT2ALMNAHPGD
SCHEMBL831717 0.76 CNR2 (0.41) DHODHTRPV3DPP4
SCHEMBL831580 0.76 ALDH1A1 (0.51) MEN1KMT2ALMNAHPGDHTT
SCHEMBL831148 0.73 KMO (0.44) DHODHSMN1; SMN2DPP4DPP8DPP9

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 DHODH 1183/4885MEN1 3799/4885KMT2A 2444/4885

“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.