Sugi Predict

Sugi Predict / Compounds / SCHEMBL829626

SCHEMBL829626

SCHEMBL829626

CCOc1nc(-c2ccc(C)c(F)c2)cc(C(F)(F)F)c1C(=O)O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.50
▸ L3MBTL1 Q9Y468 1/20 0.50
▸ KMO O15229 4/20 0.47
▸ AKR1B10 O60218 1/20 0.43
▸ AKR1C4 P17516 1/20 0.43
▸ AKR1C3 P42330 1/20 0.43
▸ AKR1C2 P52895 1/20 0.43
▸ AKR1C1 Q04828 1/20 0.43
▸ KDM4E B2RXH2 4/20 0.39
▸ HPGD P15428 2/20 0.39
▸ CYP1A2 P05177 1/20 0.39
▸ CYP2C9 P11712 1/20 0.39
▸ CYP2C19 P33261 1/20 0.39
▸ RXFP1 Q9HBX9 4/20 0.39
▸ MAPT P10636 3/20 0.39
▸ GRIN2B Q13224 1/20 0.38
▸ RXRA P19793 1/20 0.38
▸ RXRB P28702 1/20 0.38
▸ RXRG P48443 1/20 0.38
▸ MEN1 O00255 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
SCHEMBL830427 0.89 ALDH1A1 (0.51) ALDH1A1L3MBTL1KMOAKR1B10AKR1C4
SCHEMBL830072 0.89 XDH (0.45) ALDH1A1L3MBTL1KMOAKR1B10AKR1C4
SCHEMBL832288 0.87 KMO (0.43) ALDH1A1L3MBTL1KMOAKR1B10AKR1C4
SCHEMBL831459 0.87 KMO (0.43) ALDH1A1L3MBTL1KMOAKR1B10AKR1C4
SCHEMBL830844 0.85 ALDH1A1 (0.49) ALDH1A1L3MBTL1KMOKDM4EHPGD
SCHEMBL831313 0.85 KMO (0.42) ALDH1A1L3MBTL1KMOAKR1B10AKR1C4
SCHEMBL831823 0.85 KMO (0.42) ALDH1A1L3MBTL1KMOAKR1B10AKR1C4
SCHEMBL831013 0.85 KMO (0.45) ALDH1A1L3MBTL1KMOAKR1B10AKR1C4
SCHEMBL830425 0.84 ALDH1A1 (0.51) ALDH1A1L3MBTL1KDM4EHPGDCYP1A2
SCHEMBL830078 0.83 ALDH1A1 (0.46) ALDH1A1L3MBTL1KMOAKR1C3AKR1C2

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 ALDH1A1 1238/4885L3MBTL1 823/4885KMO 2954/4885

“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.