Sugi Predict

Sugi Predict / Compounds / SCHEMBL831590

SCHEMBL831590

SCHEMBL831590

Cc1ccc(-c2cc(C(F)(F)F)c(C(=O)O)c(NC3CC3)n2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 4/20 0.44
▸ ALDH1A1 P00352 4/20 0.43
▸ HPGD P15428 3/20 0.43
▸ MAPT P10636 3/20 0.43
▸ POLB P06746 2/20 0.43
▸ TSHR P16473 2/20 0.43
▸ LMNA P02545 1/20 0.43
▸ L3MBTL1 Q9Y468 1/20 0.42
▸ SYK P43405 2/20 0.40
▸ RXFP1 Q9HBX9 3/20 0.40
▸ TP53 P04637 2/20 0.40
▸ USP2 O75604 1/20 0.38
▸ CYP1A2 P05177 1/20 0.38
▸ CYP3A4 P08684 1/20 0.38
▸ CYP2D6 P10635 1/20 0.38
▸ CYP2C19 P33261 1/20 0.38
▸ CLK4 Q9HAZ1 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ ADORA3 P0DMS8 1/20 0.38
▸ VCP P55072 2/20 0.38

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
SCHEMBL832140 0.89 POLB (0.43) KDM4EALDH1A1HPGDMAPTPOLB
SCHEMBL832238 0.84 VCP (0.52) KDM4EALDH1A1HPGDMAPTPOLB
SCHEMBL839415 0.83 KMO (0.42) KDM4EALDH1A1HPGDMAPTTSHR
Hydrochloric Acid SCHEMBL832585 0.82 KMO (0.41) KDM4EALDH1A1HPGDMAPTTSHR
SCHEMBL830842 0.81 KDM4E (0.44) KDM4EALDH1A1HPGDMAPTPOLB
SCHEMBL839948 0.80 KDM4E (0.40) KDM4EALDH1A1HPGDMAPTTSHR
SCHEMBL831419 0.79 ALDH1A1 (0.49) KDM4EALDH1A1HPGDMAPTPOLB
Hydrochloric Acid SCHEMBL829899 0.79 KDM4E (0.39) KDM4EALDH1A1HPGDTSHRLMNA
SCHEMBL832622 0.73 SLC6A3 (0.43) KDM4EALDH1A1HPGDMAPTTSHR
SCHEMBL831552 0.73 VCP (0.52) KDM4EALDH1A1HPGDMAPTPOLB

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 KDM4E 3571/4885ALDH1A1 1238/4885HPGD 1605/4885

“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.