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SCHEMBL4900677

SCHEMBL4900677

COC(=O)c1cc(S(=O)(=O)NCCc2ccc(OCc3cccc(C)c3C)cc2)cc(C)c1C

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ AKR1C3 P42330 2/20 0.46
▸ TBXA2R P21731 1/20 0.44
▸ TBXAS1 P24557 1/20 0.44
▸ FFAR1 O14842 1/20 0.43
▸ ALDH1A1 P00352 2/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.42
▸ SGMS1 Q86VZ5 5/20 0.42
▸ MEN1 O00255 1/20 0.42
▸ GAA P10253 1/20 0.42
▸ KMT2A Q03164 1/20 0.42
▸ POLB P06746 1/20 0.40
▸ ERBB2 P04626 1/20 0.40
▸ ERBB4 Q15303 1/20 0.40
▸ CA12 O43570 1/20 0.39
▸ CA1 P00915 1/20 0.39
▸ CA2 P00918 1/20 0.39
▸ ADRB2 P07550 1/20 0.39
▸ ADRB1 P08588 1/20 0.39
▸ CA9 Q16790 1/20 0.39

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
SCHEMBL4894509 0.92 AKR1C3 (0.48) AKR1C3TBXA2RTBXAS1FFAR1ALDH1A1
SCHEMBL4895653 0.89 AKR1C3 (0.43) AKR1C3TBXA2RTBXAS1ALDH1A1SMN1; SMN2
SCHEMBL4906441 0.89 AKR1C3 (0.46) AKR1C3TBXA2RTBXAS1FFAR1ALDH1A1
SCHEMBL4904027 0.85 ALDH1A1 (0.53) AKR1C3TBXA2RTBXAS1ALDH1A1SMN1; SMN2
SCHEMBL4908016 0.84 MMP2 (0.49) AKR1C3TBXA2RTBXAS1ALDH1A1SMN1; SMN2
SCHEMBL4911868 0.83 MAOA (0.45) AKR1C3TBXA2RTBXAS1ALDH1A1SMN1; SMN2
SCHEMBL4905732 0.83 MEN1 (0.47) AKR1C3ALDH1A1SMN1; SMN2MEN1GAA
SCHEMBL4907266 0.83 AKR1C3 (0.49) AKR1C3TBXA2RTBXAS1FFAR1ALDH1A1
SCHEMBL4894408 0.83 ERBB2 (0.51) AKR1C3TBXA2RTBXAS1ALDH1A1SMN1; SMN2
SCHEMBL4906798 0.83 MAPT (0.43) AKR1C3TBXA2RTBXAS1ALDH1A1SMN1; SMN2

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

“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.