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SCHEMBL4897453

SCHEMBL4897453

Cc1cc(S(=O)(=O)NCCc2ccc(-c3ccc(OC(F)(F)F)cc3)cc2)cc(C(=O)O)c1C

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ AKR1C3 P42330 2/20 0.46
▸ ALDH1A1 P00352 5/20 0.45
▸ SMN1; SMN2 Q16637 1/20 0.43
▸ TBXA2R P21731 1/20 0.43
▸ TBXAS1 P24557 1/20 0.43
▸ ERBB2 P04626 1/20 0.42
▸ ERBB4 Q15303 1/20 0.42
▸ PTGER4 P35408 1/20 0.41
▸ AKR1C2 P52895 1/20 0.41
▸ AKR1C1 Q04828 1/20 0.41
▸ PPARA Q07869 1/20 0.41
▸ POLB P06746 1/20 0.41
▸ LTA4H P09960 1/20 0.41
▸ EPHX2 P34913 1/20 0.41
▸ TP53 P04637 1/20 0.40
▸ MEN1 O00255 2/20 0.40
▸ KMT2A Q03164 2/20 0.40
▸ GAA P10253 1/20 0.40
▸ FFAR4 Q5NUL3 1/20 0.40

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
SCHEMBL4904440 0.94 LTA4H (0.47) AKR1C3ALDH1A1SMN1; SMN2TBXA2RTBXAS1
SCHEMBL4903628 0.92 ALDH1A1 (0.46) AKR1C3ALDH1A1SMN1; SMN2TBXA2RTBXAS1
SCHEMBL4906637 0.89 LMNA (0.51) AKR1C3ALDH1A1SMN1; SMN2TBXA2RTBXAS1
SCHEMBL4897625 0.88 KDM1A (0.46) AKR1C3ALDH1A1SMN1; SMN2ERBB2ERBB4
SCHEMBL4904169 0.86 ALDH1A1 (0.46) AKR1C3ALDH1A1SMN1; SMN2TBXA2RTBXAS1
SCHEMBL4906290 0.85 LTA4H (0.47) AKR1C3ALDH1A1SMN1; SMN2TBXA2RTBXAS1
SCHEMBL4906209 0.85 PPARA (0.48) PPARATP53
SCHEMBL4904258 0.85 TDP1 (0.47) ALDH1A1EPHX2TP53MEN1KMT2A
SCHEMBL4906257 0.84 ALDH1A1 (0.54) AKR1C3ALDH1A1SMN1; SMN2TBXA2RTBXAS1
SCHEMBL4899793 0.84 ALDH1A1 (0.50) AKR1C3ALDH1A1SMN1; SMN2POLBTP53

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 1604/4885ALDH1A1 2664/4885SMN1; SMN2 3271/4885
US-20050288340-A1 Substituted heteroaryl- and phenylsulfamoyl compounds PPARA, PPARG, PPARD AKR1C3 1645/4885ALDH1A1 2956/4885SMN1; SMN2 3404/4885
US-20080090829-A1 SUBSTITUTED HETEROARYL- AND PHENYLSULFAMOYL COMPOUNDS PPARA, PPARG, PPARD AKR1C3 1645/4885ALDH1A1 2956/4885SMN1; SMN2 3404/4885

“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.