SCHEMBL5378689

SCHEMBL5378689

Nc1ccc(SCc2ccc(F)c(F)c2)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.61
MEN1 O00255 1/20 0.61
NPC1 O15118 1/20 0.61
RAB9A P51151 1/20 0.61
KMT2A Q03164 1/20 0.61
DAO P14920 2/20 0.49
MAOA P21397 4/20 0.40
MAOB P27338 4/20 0.40
CYP3A4 P08684 3/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
METAP2 P50579 2/20 0.37
MIF P14174 1/20 0.37
PTK2 Q05397 1/20 0.36
SLC6A4 P31645 1/20 0.36
TSHR P16473 2/20 0.35
GFER P55789 1/20 0.35
TDP1 Q9NUW8 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
SCHEMBL5122923 0.80 ALDH1A1 (0.80) ALDH1A1MEN1NPC1RAB9AKMT2A
SCHEMBL5372112 0.79 ALDH1A1 (0.67) ALDH1A1MEN1NPC1RAB9AKMT2A
SCHEMBL5376607 0.78 NPC1 (0.55) ALDH1A1MEN1NPC1RAB9AKMT2A
SCHEMBL4339672 0.77 NPC1 (0.58) ALDH1A1MEN1NPC1RAB9AKMT2A
SCHEMBL5321476 0.76 DAO (0.40) ALDH1A1MEN1NPC1RAB9AKMT2A
SCHEMBL5376892 0.76 MEN1 (1.00) ALDH1A1MEN1NPC1RAB9AKMT2A
SCHEMBL5376927 0.75 ALDH1A1 (0.56) ALDH1A1MEN1NPC1RAB9AKMT2A
SCHEMBL5376438 0.74 ALDH1A1 (0.54) ALDH1A1MEN1NPC1RAB9AKMT2A
SCHEMBL5378712 0.73 ALDH1A1 (0.69) ALDH1A1MEN1NPC1RAB9AKMT2A
SCHEMBL5391372 0.72 ALDH1A1 (0.56) 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 7 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
US-7262318-B2 Substituted heteroaryl- and phenylsulfamoyl compounds PFIZER, INC. (US) 2007-08-28 US 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.