SCHEMBL4894513

SCHEMBL4894513

COC(=O)c1cc(S(=O)(=O)NCCc2ccc(-c3ccc(C(F)(F)F)cc3)cc2)ccc1C

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.48
PKM P14618 1/20 0.48
MAPK1 P28482 1/20 0.48
TP53 P04637 2/20 0.46
MAPT P10636 4/20 0.45
LMNA P02545 3/20 0.45
ALDH1A1 P00352 4/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
RECQL P46063 1/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
GAA P10253 1/20 0.43
ERBB2 P04626 1/20 0.43
ERBB4 Q15303 1/20 0.43
AKR1C3 P42330 2/20 0.43

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
SCHEMBL4906499 0.92 ALDH1A1 (0.48) HTTPKMMAPK1TP53MAPT
SCHEMBL4900659 0.91 ALDH1A1 (0.52) HTTPKMMAPK1TP53LMNA
SCHEMBL4903705 0.91 LMNA (0.53) HTTPKMMAPK1TP53MAPT
SCHEMBL4895869 0.90 MAPK1 (0.49) HTTPKMMAPK1TP53MAPT
SCHEMBL4895638 0.90 ERBB2 (0.44) HTTPKMMAPK1TP53MAPT
SCHEMBL4899793 0.90 ALDH1A1 (0.50) HTTPKMMAPK1TP53MAPT
SCHEMBL4899749 0.89 ERBB2 (0.50) HTTPKMMAPK1MAPTALDH1A1
SCHEMBL4905912 0.88 MAPT (0.54) TP53MAPTLMNARECQLMEN1
SCHEMBL4904026 0.88 ALDH1A1 (0.57) HTTPKMMAPK1TP53MAPT
SCHEMBL4902988 0.88 PKM (0.50) HTTPKMMAPK1TP53MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080090829-A1 SUBSTITUTED HETEROARYL- AND PHENYLSULFAMOYL COMPOUNDS PFIZER INC. 2008-04-17 US disclosed
US-20080090829-A1 SUBSTITUTED HETEROARYL- AND PHENYLSULFAMOYL COMPOUNDS PFIZER INC. 2008-04-17 US disclosed
US-20080090829-A1 SUBSTITUTED HETEROARYL- AND PHENYLSULFAMOYL COMPOUNDS PFIZER INC. 2008-04-17 US disclosed
US-20060229363-A1 Substituted Heteroaryl- and Phenylsulfamoyl Compounds HAMANAKA ERNEST S 2006-10-12 US 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-20060229363-A1 Substituted Heteroaryl- and Phenylsulfamoyl Compounds PPARA, PPARG, PPARD HTT 711/4885PKM 896/4885MAPK1 3332/4885
US-20080090829-A1 SUBSTITUTED HETEROARYL- AND PHENYLSULFAMOYL COMPOUNDS PPARA, PPARG, PPARD HTT 696/4885PKM 861/4885MAPK1 3366/4885

“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.