Sugi Predict

Sugi Predict / Compounds / SCHEMBL831302

SCHEMBL831302

SCHEMBL831302

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

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ XDH P47989 2/20 0.48
▸ ALDH1A1 P00352 5/20 0.46
▸ L3MBTL1 Q9Y468 1/20 0.46
▸ MAPT P10636 2/20 0.44
▸ POLB P06746 1/20 0.44
▸ AAK1 Q2M2I8 1/20 0.41
▸ KDM4E B2RXH2 5/20 0.41
▸ SYK P43405 1/20 0.40
▸ AKR1C3 P42330 1/20 0.40
▸ AKR1C2 P52895 1/20 0.40
▸ RXFP1 Q9HBX9 2/20 0.39
▸ TP53 P04637 1/20 0.39
▸ DHODH Q02127 2/20 0.39
▸ HPGD P15428 4/20 0.38
▸ CYP2C9 P11712 2/20 0.38
▸ CYP2C19 P33261 2/20 0.38
▸ CYP1A2 P05177 1/20 0.38
▸ LTB4R Q15722 1/20 0.38
▸ TARBP2 Q15633 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 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
SCHEMBL829557 0.90 XDH (0.45) XDHALDH1A1L3MBTL1MAPTPOLB
SCHEMBL832232 0.89 ALDH1A1 (0.47) XDHALDH1A1L3MBTL1MAPTPOLB
SCHEMBL830072 0.87 XDH (0.45) XDHALDH1A1L3MBTL1AAK1SYK
SCHEMBL831045 0.81 DPP4 (0.48) XDHALDH1A1L3MBTL1MAPTPOLB
SCHEMBL831844 0.81 ALDH1A1 (0.42) XDHALDH1A1L3MBTL1MAPTAAK1
SCHEMBL832680 0.80 L3MBTL1 (0.43) XDHALDH1A1L3MBTL1MAPTPOLB
SCHEMBL830425 0.78 ALDH1A1 (0.51) ALDH1A1L3MBTL1MAPTKDM4ERXFP1
SCHEMBL831419 0.78 ALDH1A1 (0.49) XDHALDH1A1L3MBTL1MAPTPOLB
SCHEMBL832584 0.77 ALDH1A1 (0.50) ALDH1A1L3MBTL1MAPTPOLBKDM4E
SCHEMBL832288 0.77 KMO (0.43) XDHALDH1A1L3MBTL1MAPTAAK1

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 233/4885ALDH1A1 1238/4885L3MBTL1 823/4885

“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.