SCHEMBL4904015

SCHEMBL4904015

COC(=O)c1cc(S(=O)(=O)NCCSc2ccc(Oc3ccc(OC)cc3)cc2)ccc1C

nearest known ligand 0.54

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 12/20 0.54
TSHR P16473 5/20 0.54
LMNA P02545 4/20 0.54
HTT P42858 2/20 0.54
HSD17B10 Q99714 1/20 0.50
POLB P06746 2/20 0.48
MAPT P10636 1/20 0.47
SMN1; SMN2 Q16637 2/20 0.46
MTNR1A P48039 1/20 0.46
MTNR1B P49286 1/20 0.46
PKM P14618 1/20 0.44
CYP2C9 P11712 1/20 0.43
NPSR1 Q6W5P4 1/20 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
SCHEMBL4902846 0.94 ALDH1A1 (0.60) ALDH1A1TSHRLMNAHTTHSD17B10
SCHEMBL4905789 0.93 ALDH1A1 (0.51) ALDH1A1TSHRLMNAHTTHSD17B10
SCHEMBL4902649 0.93 ALDH1A1 (0.54) ALDH1A1TSHRLMNAHTTHSD17B10
SCHEMBL4894428 0.93 POLB (0.58) ALDH1A1TSHRLMNAHTTHSD17B10
SCHEMBL4904860 0.92 ALDH1A1 (0.57) ALDH1A1TSHRLMNAHTTHSD17B10
SCHEMBL4906306 0.92 ALDH1A1 (0.50) ALDH1A1TSHRLMNAHTTHSD17B10
SCHEMBL4906669 0.92 ALDH1A1 (0.60) ALDH1A1TSHRLMNAHTTHSD17B10
SCHEMBL14227416 0.92 ALDH1A1 (0.50) ALDH1A1TSHRLMNAHTTHSD17B10
SCHEMBL4906552 0.91 ALDH1A1 (0.49) ALDH1A1TSHRLMNAHTTHSD17B10
SCHEMBL4905857 0.90 ALDH1A1 (0.48) ALDH1A1TSHRLMNAHTTHSD17B10

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
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
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 412/4885LMNA 317/4885
US-20050288340-A1 Substituted heteroaryl- and phenylsulfamoyl compounds PPARA, PPARG, PPARD ALDH1A1 2956/4885TSHR 400/4885LMNA 319/4885
US-20080090829-A1 SUBSTITUTED HETEROARYL- AND PHENYLSULFAMOYL COMPOUNDS PPARA, PPARG, PPARD ALDH1A1 2956/4885TSHR 400/4885LMNA 319/4885

“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.