SCHEMBL839635

SCHEMBL839635

CC(C)Cc1cc(-c2ccc(C(F)(F)F)cc2)nc(C(F)(F)F)c1C(=O)O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 3/20 0.42
PSEN1 P49768 1/20 0.42
PSEN2 P49810 1/20 0.42
APH1B Q8WW43 1/20 0.42
NCSTN Q92542 1/20 0.42
APH1A Q96BI3 1/20 0.42
PSENEN Q9NZ42 1/20 0.42
ADORA3 P0DMS8 1/20 0.42
TP53 P04637 1/20 0.39
POLB P06746 1/20 0.39
MAPT P10636 1/20 0.39
PTGES O14684 1/20 0.38
PPARD Q03181 2/20 0.38
LTB4R Q15722 2/20 0.38
LDHA P00338 1/20 0.38
LDHB P07195 1/20 0.38
SCN9A Q15858 1/20 0.37
AKR1C3 P42330 1/20 0.37
AKR1C2 P52895 1/20 0.37
TRPV3 Q8NET8 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
SCHEMBL829506 0.99 DHODH (0.41) DHODHPSEN1PSEN2APH1BNCSTN
SCHEMBL839634 0.91 DPP4 (0.46) DHODHADORA3POLBMAPTAKR1C3
SCHEMBL830771 0.89 DPP4 (0.45) DHODHADORA3POLBMAPTAKR1C3
Potassium Ion SCHEMBL829507 0.88 PTGER1 (0.41) DHODHPSEN1PSEN2APH1BNCSTN
SCHEMBL831460 0.85 ALDH1A1 (0.49) DHODHPSEN1PSEN2APH1BNCSTN
SCHEMBL832625 0.84 DHODH (0.36) DHODHTP53PTGES
SCHEMBL831905 0.84 KMO (0.45) DHODHPTGESAKR1C3AKR1C2
SCHEMBL839855 0.83 GFER (0.42) DHODHMAPTLDHALDHB
Potassium SCHEMBL830614 0.82 GFER (0.41) DHODHMAPTLDHALDHB
SCHEMBL830612 0.82 GFER (0.41) DHODHMAPTLDHALDHB

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 3 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-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 1183/4885PSEN1 442/4885PSEN2 203/4885

“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.