Sugi Predict

Sugi Predict / Compounds / SCHEMBL830490

SCHEMBL830490

SCHEMBL830490

CCc1nc(-c2ccc(C)c(F)c2)cc(CC(C)C)c1C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMO O15229 2/20 0.46
▸ ESR1 P03372 1/20 0.40
▸ ESR2 Q92731 1/20 0.40
▸ DPP4 P27487 5/20 0.39
▸ DPP8 Q6V1X1 4/20 0.39
▸ DPP9 Q86TI2 3/20 0.38
▸ AKR1C3 P42330 2/20 0.38
▸ AKR1C2 P52895 2/20 0.38
▸ PTGES O14684 1/20 0.38
▸ DHODH Q02127 1/20 0.38
▸ PDE4A P27815 1/20 0.35
▸ AKR1B10 O60218 1/20 0.35
▸ AKR1C4 P17516 1/20 0.35
▸ AKR1C1 Q04828 1/20 0.35
▸ GRIN2B Q13224 1/20 0.35
▸ HDAC1 Q13547 1/20 0.35
▸ HDAC6 Q9UBN7 1/20 0.35
▸ HDAC9 Q9UKV0 1/20 0.35
▸ S1PR1 P21453 2/20 0.34
▸ TRPV3 Q8NET8 1/20 0.34

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
SCHEMBL830487 0.88 SLC6A3 (0.39) KMOESR1ESR2AKR1C3AKR1C2
SCHEMBL831687 0.87 KMO (0.48) KMOESR1ESR2DPP4DPP8
SCHEMBL833067 0.85 CNR2 (0.43) KMODPP4PTGESDHODHTRPV3
SCHEMBL829550 0.85 DHODH (0.36) ESR1ESR2DPP4DPP8DPP9
SCHEMBL832260 0.85 DPP4 (0.50) DPP4DPP8DPP9DHODHPDE4A
SCHEMBL831905 0.83 KMO (0.45) KMOESR1ESR2DPP4DPP8
SCHEMBL831048 0.81 FABP3 (0.46) ESR1ESR2DPP4DPP8DPP9
SCHEMBL831371 0.79 KMO (0.45) KMODPP4DPP8DPP9AKR1C3
SCHEMBL830856 0.79 ALDH1A1 (0.50) KMODHODHTP53
SCHEMBL831344 0.78 KMO (0.44) KMODPP4DPP8DPP9AKR1C3

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 2954/4885ESR1 4515/4885ESR2 3297/4885

“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.