Sugi Predict

Sugi Predict / Compounds / SCHEMBL832016

SCHEMBL832016

SCHEMBL832016

COC(=O)c1c(C(F)(F)F)cc(-c2cc(F)cc(F)c2)nc1NC1CCCC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.40
▸ L3MBTL1 Q9Y468 3/20 0.40
▸ KDM4E B2RXH2 4/20 0.39
▸ HPGD P15428 4/20 0.39
▸ LMNA P02545 2/20 0.39
▸ CYP1A2 P05177 1/20 0.39
▸ CYP3A4 P08684 1/20 0.39
▸ CYP2D6 P10635 1/20 0.39
▸ MAPT P10636 1/20 0.39
▸ CYP2C9 P11712 1/20 0.39
▸ CYP2C19 P33261 1/20 0.39
▸ ULK1 O75385 1/20 0.36
▸ PTGS1 P23219 3/20 0.36
▸ PTGS2 P35354 3/20 0.36
▸ TSHR P16473 2/20 0.35
▸ CASP1 P29466 1/20 0.35
▸ HSD17B10 Q99714 1/20 0.35
▸ GABBR2 O75899 3/20 0.34
▸ GABBR1 Q9UBS5 3/20 0.34
▸ ABL1 P00519 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
SCHEMBL839948 0.88 KDM4E (0.40) ALDH1A1L3MBTL1KDM4EHPGDLMNA
SCHEMBL832622 0.87 SLC6A3 (0.43) ALDH1A1L3MBTL1KDM4EHPGDLMNA
Hydrochloric Acid SCHEMBL829899 0.87 KDM4E (0.39) ALDH1A1L3MBTL1KDM4EHPGDLMNA
SCHEMBL831503 0.77 ALDH1A1 (0.46) ALDH1A1L3MBTL1KDM4EHPGDLMNA
SCHEMBL839415 0.76 KMO (0.42) ALDH1A1L3MBTL1KDM4EHPGDLMNA
Hydrochloric Acid SCHEMBL832585 0.76 KMO (0.41) ALDH1A1L3MBTL1KDM4EHPGDLMNA
SCHEMBL832031 0.73 ALDH1A1 (0.47) ALDH1A1L3MBTL1KDM4EHPGDLMNA
SCHEMBL10467366 0.71 ULK1 (0.43) ULK1WHR1
SCHEMBL830938 0.70 KDM4E (0.37) ALDH1A1L3MBTL1KDM4EHPGDLMNA
SCHEMBL831590 0.70 KDM4E (0.44) ALDH1A1L3MBTL1KDM4EHPGDLMNA

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 823/4885KDM4E 3571/4885

“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.