SCHEMBL4903989

SCHEMBL4903989

COC(=O)c1cc(S(=O)(=O)NCCc2ccc(Oc3ccc(F)cc3)cc2)ccc1C

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.61
CYP1A2 P05177 1/20 0.52
POLB P06746 1/20 0.52
CYP2D6 P10635 1/20 0.52
CYP2C19 P33261 1/20 0.52
TDP1 Q9NUW8 1/20 0.52
SMN1; SMN2 Q16637 2/20 0.51
MAPT P10636 4/20 0.49
TP53 P04637 2/20 0.48
SGMS1 Q86VZ5 2/20 0.48
AKR1C3 P42330 1/20 0.48
TAAR1 Q96RJ0 1/20 0.48
LMNA P02545 2/20 0.48
KMT2A Q03164 1/20 0.48
RECQL P46063 1/20 0.47
PKM P14618 1/20 0.46
MAPK1 P28482 1/20 0.46
HTT P42858 1/20 0.46
PDK1 Q15118 1/20 0.46
PDK2 Q15119 1/20 0.46

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
SCHEMBL4899418 0.92 ALDH1A1 (0.58) ALDH1A1CYP1A2POLBCYP2D6CYP2C19
SCHEMBL4904026 0.91 ALDH1A1 (0.57) ALDH1A1CYP1A2POLBCYP2D6CYP2C19
SCHEMBL4904019 0.91 ALDH1A1 (0.57) ALDH1A1CYP1A2POLBCYP2D6CYP2C19
SCHEMBL4895763 0.91 MAPT (0.51) ALDH1A1SMN1; SMN2MAPTTP53AKR1C3
SCHEMBL4906182 0.91 MAPT (0.52) ALDH1A1SMN1; SMN2MAPTTP53AKR1C3
SCHEMBL4904527 0.91 ALDH1A1 (0.50) ALDH1A1POLBSMN1; SMN2MAPTTP53
SCHEMBL4902663 0.90 PKM (0.53) ALDH1A1POLBSMN1; SMN2MAPTTP53
SCHEMBL4903809 0.90 ALDH1A1 (0.55) ALDH1A1POLBSMN1; SMN2MAPTTP53
SCHEMBL4906132 0.90 ALDH1A1 (0.58) ALDH1A1CYP1A2POLBCYP2D6CYP2C19
SCHEMBL4898037 0.90 ALDH1A1 (0.56) ALDH1A1CYP1A2POLBCYP2D6CYP2C19

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 2664/4885CYP1A2 1923/4885POLB 1488/4885
US-20050288340-A1 Substituted heteroaryl- and phenylsulfamoyl compounds PPARA, PPARG, PPARD ALDH1A1 2956/4885CYP1A2 2009/4885POLB 1807/4885
US-20080090829-A1 SUBSTITUTED HETEROARYL- AND PHENYLSULFAMOYL COMPOUNDS PPARA, PPARG, PPARD ALDH1A1 2956/4885CYP1A2 2009/4885POLB 1807/4885

“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.