SCHEMBL5377066

SCHEMBL5377066

Nc1ccc(SCc2ccc(OC(F)(F)F)cc2)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.56
MEN1 O00255 1/20 0.56
NPC1 O15118 1/20 0.56
RAB9A P51151 1/20 0.56
KMT2A Q03164 1/20 0.56
SCN9A Q15858 1/20 0.50
CA12 O43570 1/20 0.49
CA1 P00915 1/20 0.49
CA2 P00918 1/20 0.49
CA9 Q16790 1/20 0.49
EPHX1 P07099 2/20 0.45
APP P05067 1/20 0.44
BCHE P06276 1/20 0.43
ACHE P22303 1/20 0.43
MAOB P27338 3/20 0.41
MAOA P21397 1/20 0.41
ADK P55263 1/20 0.41
NOS3 P29474 2/20 0.39
NOS1 P29475 2/20 0.39
NOS2 P35228 2/20 0.39

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
SCHEMBL13581190 1.00 ALDH1A1 (0.56) ALDH1A1MEN1NPC1RAB9AKMT2A
SCHEMBL8794744 0.84 BCHE (0.59) ALDH1A1MEN1RAB9AKMT2ASCN9A
SCHEMBL5367845 0.82 EPHX1 (0.46) ALDH1A1MEN1NPC1RAB9AKMT2A
SCHEMBL30745872 0.81 EPHX1 (0.52) SCN9ACA12CA1CA2CA9
SCHEMBL17942375 0.81 ALDH1A1 (0.44) ALDH1A1MEN1KMT2ASCN9ACA12
SCHEMBL5122923 0.80 ALDH1A1 (0.80) ALDH1A1MEN1NPC1RAB9AKMT2A
SCHEMBL12953084 0.79 CYP3A4 (0.56) ALDH1A1MEN1KMT2ANOS3NOS1
SCHEMBL5073 0.78 TDP1 (0.50) ALDH1A1MEN1NPC1RAB9AKMT2A
SCHEMBL5377048 0.78 ALDH1A1 (0.61) ALDH1A1MEN1NPC1RAB9AKMT2A
SCHEMBL28070732 0.78 APP (0.70) ALDH1A1MEN1NPC1RAB9AKMT2A

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060258723-A1 Substituted Heteroaryl- and Phenylsulfamoyl Compounds PFIZER INC 2006-11-16 US claimed
US-20050228015-A1 Substituted heteroaryl- and phenylsulfamoyl compounds PFIZER INC 2005-10-13 US claimed
WO-2009125606-A1 PAI-1 INHIBITOR 株式会社医薬分子設計研究所 (JP) 2009-10-15 WO disclosed
US-7262318-B2 Substituted heteroaryl- and phenylsulfamoyl compounds PFIZER, INC. (US) 2007-08-28 US disclosed
CN-1930121-A Substituted heteroaryl- and phenylsulfamoyl compounds PFIZER PROD INC (US) 2007-03-14 CN disclosed
EP-1725524-A1 SUBSTITUTED HETEROARYL- AND PHENYLSULFAMOYL COMPOUNDS Pfizer Products Incorporated (US) 2006-11-29 EP disclosed
US-20060258723-A1 Substituted Heteroaryl- and Phenylsulfamoyl Compounds PFIZER INC 2006-11-16 US disclosed
US-20050228015-A1 Substituted heteroaryl- and phenylsulfamoyl compounds PFIZER INC 2005-10-13 US disclosed
WO-2005092845-A1 SUBSTITUTED HETEROARYL- AND PHENYLSULFAMOYL COMPOUNDS PFIZER PRODUCTS INC. (US) 2005-10-06 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 (2 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-20050228015-A1 Substituted heteroaryl- and phenylsulfamoyl compounds PPARA, PPARG, PPARD ALDH1A1 2956/4885MEN1 4855/4885NPC1 59/4885
US-20060258723-A1 Substituted Heteroaryl- and Phenylsulfamoyl Compounds PPARG, PPARA, PPARD ALDH1A1 2752/4885MEN1 4861/4885NPC1 74/4885

“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.