SCHEMBL4904019

SCHEMBL4904019

COC(=O)c1cc(S(=O)(=O)NCCc2ccc(OCc3ccc(F)cc3)cc2)ccc1C

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.57
MMP1 P03956 2/20 0.53
MMP2 P08253 1/20 0.53
MMP9 P14780 1/20 0.53
MMP14 P50281 1/20 0.53
ADAM17 P78536 1/20 0.53
SGMS1 Q86VZ5 2/20 0.51
CYP1A2 P05177 1/20 0.49
POLB P06746 1/20 0.49
CYP2D6 P10635 1/20 0.49
CYP2C19 P33261 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.48
MAPT P10636 3/20 0.47
FFAR4 Q5NUL3 1/20 0.47
TP53 P04637 2/20 0.46
ERBB2 P04626 1/20 0.46
ERBB4 Q15303 1/20 0.46
AKR1C3 P42330 1/20 0.46
LMNA P02545 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
SCHEMBL4906213 0.93 MMP2 (0.53) ALDH1A1MMP1MMP2MMP9MMP14
SCHEMBL4897468 0.92 ALDH1A1 (0.55) ALDH1A1MMP1MMP2MMP9MMP14
SCHEMBL4902960 0.92 ALDH1A1 (0.53) ALDH1A1SGMS1SMN1; SMN2MAPTTP53
SCHEMBL4905124 0.91 ALDH1A1 (0.55) ALDH1A1MMP1MMP2MMP9MMP14
SCHEMBL4903989 0.91 ALDH1A1 (0.61) ALDH1A1SGMS1CYP1A2POLBCYP2D6
SCHEMBL4904027 0.90 ALDH1A1 (0.53) ALDH1A1MMP1MMP2MMP9MMP14
SCHEMBL4906442 0.90 MAPT (0.50) ALDH1A1SMN1; SMN2MAPTTP53AKR1C3
SCHEMBL4895776 0.90 ALDH1A1 (0.55) ALDH1A1MMP1MMP2MMP9MMP14
SCHEMBL4895764 0.90 MAPT (0.54) ALDH1A1SGMS1SMN1; SMN2MAPTTP53
SCHEMBL4899749 0.89 ERBB2 (0.50) ALDH1A1MMP1MMP2MMP9MMP14

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-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
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 2664/4885MMP1 4641/4885MMP2 4348/4885
US-20050288340-A1 Substituted heteroaryl- and phenylsulfamoyl compounds PPARA, PPARG, PPARD ALDH1A1 2956/4885MMP1 4581/4885MMP2 4105/4885
US-20080090829-A1 SUBSTITUTED HETEROARYL- AND PHENYLSULFAMOYL COMPOUNDS PPARA, PPARG, PPARD ALDH1A1 2956/4885MMP1 4581/4885MMP2 4105/4885

“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.