SCHEMBL4906430

SCHEMBL4906430

CCc1ccc(S(=O)(=O)NCCc2ccc(Oc3ccccc3)cc2)cc1C(=O)O

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 5/20 0.56
ALDH1A1 P00352 4/20 0.52
POLB P06746 1/20 0.52
TBXA2R P21731 1/20 0.51
TBXAS1 P24557 1/20 0.51
MMP2 P08253 4/20 0.49
CA12 O43570 3/20 0.49
CA1 P00915 3/20 0.49
CA2 P00918 3/20 0.49
CA9 Q16790 3/20 0.49
MAPT P10636 2/20 0.49
ADAMTS4 O75173 1/20 0.49
MMP13 P45452 1/20 0.49
MMP14 P50281 1/20 0.49
ADAMTS5 Q9UNA0 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
MAPK1 P28482 1/20 0.48
KMT2A Q03164 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
SGMS1 Q86VZ5 1/20 0.47

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
SCHEMBL4895722 0.92 AKR1C3 (0.55) AKR1C3ALDH1A1TBXA2RMAPTSMN1; SMN2
SCHEMBL4898067 0.92 ALDH1A1 (0.57) AKR1C3ALDH1A1POLBMAPTSMN1; SMN2
SCHEMBL4907671 0.92 ALDH1A1 (0.53) AKR1C3ALDH1A1POLBTBXA2RTBXAS1
SCHEMBL4904654 0.91 ALDH1A1 (0.52) AKR1C3ALDH1A1POLBTBXA2RTBXAS1
SCHEMBL4903722 0.90 TBXAS1 (0.56) AKR1C3TBXA2RTBXAS1MAPK1KMT2A
SCHEMBL4899868 0.90 AKR1C3 (0.48) AKR1C3ALDH1A1POLBTBXA2RTBXAS1
SCHEMBL4900980 0.90 MAPK1 (0.49) AKR1C3ALDH1A1POLBTBXA2RTBXAS1
SCHEMBL4903155 0.89 AKR1C3 (0.48) AKR1C3ALDH1A1POLBTBXA2RTBXAS1
SCHEMBL4902642 0.88 LMNA (0.60) AKR1C3ALDH1A1POLBTBXA2RTBXAS1
SCHEMBL4895103 0.87 TP53 (0.49) AKR1C3ALDH1A1MAPTSMN1; SMN2KMT2A

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1765796-A1 SUBSTITUTED HETEROARYL- AND PHENYLSULFAMOYL COMPOUNDS Pfizer Products Inc. (US) 2007-03-28 EP claimed
WO-2006003495-A1 SUBSTITUTED HETEROARYL- AND PHENYLSULFAMOYL COMPOUNDS PFIZER PRODUCTS INC. (US) 2006-01-12 WO claimed
US-20050288340-A1 Substituted heteroaryl- and phenylsulfamoyl compounds PFIZER INC 2005-12-29 US claimed
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 AKR1C3 1604/4885ALDH1A1 2664/4885POLB 1488/4885
US-20050288340-A1 Substituted heteroaryl- and phenylsulfamoyl compounds PPARA, PPARG, PPARD AKR1C3 1645/4885ALDH1A1 2956/4885POLB 1807/4885
US-20080090829-A1 SUBSTITUTED HETEROARYL- AND PHENYLSULFAMOYL COMPOUNDS PPARA, PPARG, PPARD AKR1C3 1645/4885ALDH1A1 2956/4885POLB 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.