SCHEMBL4909044

SCHEMBL4909044

CCc1ccc(S(=O)(=O)NCCc2ccc(OCC(F)(F)C(F)F)cc2)cc1C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 2/20 0.46
TBXA2R P21731 1/20 0.45
TBXAS1 P24557 1/20 0.45
ALDH1A1 P00352 5/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
SGMS1 Q86VZ5 5/20 0.42
CA12 O43570 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
ADRB2 P07550 1/20 0.42
ADRB1 P08588 1/20 0.42
CA9 Q16790 1/20 0.42
MAPT P10636 1/20 0.42
POLB P06746 1/20 0.41
TP53 P04637 1/20 0.41
MAPK1 P28482 1/20 0.41
KMT2A Q03164 1/20 0.41
TDP1 Q9NUW8 1/20 0.41

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
SCHEMBL4905595 0.92 ALDH1A1 (0.45) AKR1C3TBXA2RTBXAS1ALDH1A1SMN1; SMN2
SCHEMBL4908882 0.90 LMNA (0.51) AKR1C3TBXA2RTBXAS1ALDH1A1SMN1; SMN2
SCHEMBL4894377 0.85 TBXA2R (0.45) AKR1C3TBXA2RTBXAS1ALDH1A1SMN1; SMN2
SCHEMBL4900950 0.84 ADAMTS4 (0.49) AKR1C3TBXA2RTBXAS1KMT2A
SCHEMBL4902429 0.84 ALDH1A1 (0.46) AKR1C3TBXA2RTBXAS1ALDH1A1SMN1; SMN2
SCHEMBL4899868 0.83 AKR1C3 (0.48) AKR1C3TBXA2RTBXAS1ALDH1A1SMN1; SMN2
SCHEMBL4907097 0.83 ALDH1A1 (0.54) AKR1C3TBXA2RTBXAS1ALDH1A1SGMS1
SCHEMBL4903155 0.83 AKR1C3 (0.48) AKR1C3TBXA2RTBXAS1ALDH1A1SMN1; SMN2
SCHEMBL4906061 0.82 MMP2 (0.53) AKR1C3TBXA2RTBXAS1ALDH1A1SMN1; SMN2
SCHEMBL4898067 0.81 ALDH1A1 (0.57) AKR1C3ALDH1A1SMN1; SMN2SGMS1MAPT

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 4 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-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 (2 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-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.