SCHEMBL4903722

SCHEMBL4903722

CCc1ccc(S(=O)(=O)NCCc2ccc(Oc3cccnc3)cc2)cc1C(=O)O

nearest known ligand 0.56

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TBXAS1 P24557 12/20 0.56
AKR1C3 P42330 4/20 0.48
TBXA2R P21731 6/20 0.46
MAPK1 P28482 1/20 0.45
KMT2A Q03164 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
ADRB2 P07550 1/20 0.43
ADRB1 P08588 1/20 0.43
ADRB3 P13945 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
SCHEMBL4908270 0.92 TBXAS1 (0.53) TBXAS1AKR1C3TBXA2RKMT2AADRB2
SCHEMBL4906430 0.90 AKR1C3 (0.56) TBXAS1AKR1C3TBXA2RMAPK1KMT2A
SCHEMBL4903960 0.90 TBXAS1 (0.57) TBXAS1AKR1C3TBXA2RMAPK1KMT2A
SCHEMBL4904654 0.89 ALDH1A1 (0.52) TBXAS1AKR1C3TBXA2RMAPK1KMT2A
SCHEMBL4906367 0.85 TBXAS1 (0.56) TBXAS1AKR1C3TBXA2RMAPK1
SCHEMBL4898067 0.84 ALDH1A1 (0.57) AKR1C3TDP1
SCHEMBL4895722 0.84 AKR1C3 (0.55) AKR1C3TBXA2RKMT2A
SCHEMBL4903600 0.84 TBXAS1 (0.55) TBXAS1AKR1C3TBXA2RMAPK1KMT2A
SCHEMBL4899868 0.83 AKR1C3 (0.48) TBXAS1AKR1C3TBXA2RMAPK1KMT2A
SCHEMBL4900980 0.83 MAPK1 (0.49) TBXAS1AKR1C3TBXA2RMAPK1KMT2A

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 TBXAS1 271/4885AKR1C3 1604/4885TBXA2R 338/4885
US-20050288340-A1 Substituted heteroaryl- and phenylsulfamoyl compounds PPARA, PPARG, PPARD TBXAS1 271/4885AKR1C3 1645/4885TBXA2R 330/4885
US-20080090829-A1 SUBSTITUTED HETEROARYL- AND PHENYLSULFAMOYL COMPOUNDS PPARA, PPARG, PPARD TBXAS1 271/4885AKR1C3 1645/4885TBXA2R 330/4885

“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.