Sugi Predict

Sugi Predict / Compounds / SCHEMBL832782

SCHEMBL832782

SCHEMBL832782

COC(=O)c1c(C(F)(F)F)cc(-c2ccc(C)c(F)c2)nc1NC(C)C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.43
▸ L3MBTL1 Q9Y468 2/20 0.43
▸ SLC6A3 Q01959 1/20 0.39
▸ KMO O15229 2/20 0.38
▸ AKR1C3 P42330 2/20 0.38
▸ AKR1C2 P52895 2/20 0.38
▸ AKR1B10 O60218 1/20 0.38
▸ AKR1C4 P17516 1/20 0.38
▸ AKR1C1 Q04828 1/20 0.38
▸ HPGD P15428 3/20 0.36
▸ KDM4E B2RXH2 2/20 0.36
▸ TSHR P16473 2/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ LMNA P02545 1/20 0.36
▸ CYP11B2 P19099 2/20 0.35
▸ MDM2 Q00987 1/20 0.35
▸ CASP1 P29466 1/20 0.35
▸ HSD17B10 Q99714 1/20 0.35
▸ PTGES O14684 1/20 0.35
▸ CYP11B1 P15538 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
SCHEMBL832422 0.89 KMO (0.45) ALDH1A1L3MBTL1KMOAKR1C3AKR1C2
SCHEMBL832622 0.84 SLC6A3 (0.43) ALDH1A1L3MBTL1SLC6A3KMOHPGD
SCHEMBL830911 0.84 ALDH1A1 (0.47) ALDH1A1L3MBTL1SLC6A3KMOAKR1C3
SCHEMBL832431 0.83 ALDH1A1 (0.43) ALDH1A1L3MBTL1SLC6A3KMOAKR1C3
SCHEMBL832076 0.82 ALDH1A1 (0.45) ALDH1A1L3MBTL1SLC6A3KMOAKR1C3
SCHEMBL830470 0.82 ALDH1A1 (0.42) ALDH1A1L3MBTL1SLC6A3KMOAKR1C3
SCHEMBL839602 0.81 ALDH1A1 (0.42) ALDH1A1L3MBTL1SLC6A3KMOHPGD
SCHEMBL830320 0.81 ALDH1A1 (0.44) ALDH1A1L3MBTL1SLC6A3KMOAKR1C3
SCHEMBL831110 0.81 ALDH1A1 (0.44) ALDH1A1L3MBTL1SLC6A3KMOAKR1C3
Hydrochloric Acid SCHEMBL831469 0.81 ALDH1A1 (0.42) ALDH1A1L3MBTL1SLC6A3KMOHPGD

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 823/4885SLC6A3 264/4885

“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.