SCHEMBL4900658

SCHEMBL4900658

CCN(Br)S(=O)(=O)c1ccc(C)c(C(=O)OC)c1

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.55
TSHR P16473 2/20 0.55
CYP2C9 P11712 3/20 0.43
KMT2A Q03164 3/20 0.43
POLB P06746 1/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
HPGD P15428 2/20 0.41
MAPT P10636 2/20 0.41
GAA P10253 1/20 0.41
MEN1 O00255 1/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
CA2 P00918 2/20 0.40
LMNA P02545 2/20 0.39
PKM P14618 2/20 0.39
KDM4E B2RXH2 2/20 0.39
HSD17B10 Q99714 1/20 0.38

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
SCHEMBL4903732 0.86 ALDH1A1 (0.55) ALDH1A1TSHRCYP2C9KMT2APOLB
SCHEMBL4902250 0.84 ALDH1A1 (0.46) ALDH1A1TSHRCYP2C9KMT2APOLB
SCHEMBL4896026 0.80 ALDH1A1 (0.49) ALDH1A1TSHRPOLBSMN1; SMN2HPGD
SCHEMBL4902733 0.79 ESR1 (0.60) ALDH1A1TSHRSMN1; SMN2HPGDMAPT
SCHEMBL4897517 0.78 ALDH1A1 (0.49) ALDH1A1TSHRPOLBSMN1; SMN2HPGD
SCHEMBL4899320 0.78 ALDH1A1 (0.52) ALDH1A1TSHRKMT2ASMN1; SMN2HPGD
SCHEMBL4905613 0.77 ALDH1A1 (0.48) ALDH1A1TSHRCYP2C9KMT2ASMN1; SMN2
SCHEMBL4906761 0.77 ALDH1A1 (0.48) ALDH1A1TSHRPOLBSMN1; SMN2HPGD
SCHEMBL4905482 0.77 NPSR1 (0.51) ALDH1A1TSHRCYP2C9HPGDMAPT
SCHEMBL4894507 0.77 ALDH1A1 (0.48) ALDH1A1TSHRCYP2C9KMT2ASMN1; SMN2

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 5 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
EP-1765796-A1 SUBSTITUTED HETEROARYL- AND PHENYLSULFAMOYL COMPOUNDS Pfizer Products Inc. (US) 2007-03-28 EP disclosed
US-20060229363-A1 Substituted Heteroaryl- and Phenylsulfamoyl Compounds HAMANAKA ERNEST S 2006-10-12 US disclosed
WO-2006003495-A1 SUBSTITUTED HETEROARYL- AND PHENYLSULFAMOYL COMPOUNDS PFIZER PRODUCTS INC. (US) 2006-01-12 WO disclosed
US-20050288340-A1 Substituted heteroaryl- and phenylsulfamoyl compounds PFIZER INC 2005-12-29 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 (3 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 ALDH1A1 2664/4885TSHR 412/4885CYP2C9 3366/4885
US-20050288340-A1 Substituted heteroaryl- and phenylsulfamoyl compounds PPARA, PPARG, PPARD ALDH1A1 2956/4885TSHR 400/4885CYP2C9 3557/4885
US-20080090829-A1 SUBSTITUTED HETEROARYL- AND PHENYLSULFAMOYL COMPOUNDS PPARA, PPARG, PPARD ALDH1A1 2956/4885TSHR 400/4885CYP2C9 3557/4885

“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.