Sugi Predict

Sugi Predict / Compounds / SCHEMBL831371

SCHEMBL831371

SCHEMBL831371

Cc1ccc(-c2cc(C(F)(F)F)c(C(=O)O)c(CC(C)C)n2)cc1F

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMO O15229 4/20 0.45
▸ AKR1C3 P42330 2/20 0.43
▸ AKR1C2 P52895 2/20 0.43
▸ AKR1B10 O60218 1/20 0.43
▸ AKR1C4 P17516 1/20 0.43
▸ AKR1C1 Q04828 1/20 0.43
▸ ALDH1A1 P00352 2/20 0.43
▸ L3MBTL1 Q9Y468 1/20 0.43
▸ DPP4 P27487 3/20 0.39
▸ DPP8 Q6V1X1 3/20 0.39
▸ DPP9 Q86TI2 2/20 0.39
▸ TRPV3 Q8NET8 2/20 0.38
▸ DHODH Q02127 1/20 0.37
▸ AAK1 Q2M2I8 1/20 0.37
▸ ACHE P22303 1/20 0.37
▸ XDH P47989 1/20 0.36
▸ CYP11B1 P15538 1/20 0.36
▸ CYP11B2 P19099 1/20 0.36
▸ PTGES O14684 1/20 0.35
▸ KDM4E B2RXH2 1/20 0.35

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
SCHEMBL831342 0.99 KMO (0.44) KMOAKR1C3AKR1C2AKR1B10AKR1C4
SCHEMBL831344 0.99 KMO (0.44) KMOAKR1C3AKR1C2AKR1B10AKR1C4
SCHEMBL830823 0.89 KMO (0.43) KMOAKR1C3AKR1C2AKR1B10AKR1C4
SCHEMBL831343 0.89 ALDH1A1 (0.41) KMOAKR1C3AKR1C2AKR1B10AKR1C4
SCHEMBL832076 0.89 ALDH1A1 (0.45) KMOAKR1C3AKR1C2AKR1B10AKR1C4
SCHEMBL831045 0.86 DPP4 (0.48) AKR1C3AKR1C2ALDH1A1L3MBTL1DPP4
SCHEMBL830413 0.84 ALDH1A1 (0.44) KMOAKR1C3AKR1C2AKR1B10AKR1C4
SCHEMBL830805 0.83 POLB (0.46) ALDH1A1L3MBTL1DPP4DPP8DPP9
SCHEMBL829804 0.82 POLB (0.45) ALDH1A1L3MBTL1DPP4DPP8DPP9
SCHEMBL830072 0.82 XDH (0.45) KMOAKR1C3AKR1C2AKR1B10AKR1C4

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 KMO 2954/4885AKR1C3 1658/4885AKR1C2 1390/4885

“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.