SCHEMBL4906290

SCHEMBL4906290

Cc1cc(S(=O)(=O)NCCc2ccc(Oc3ccc(C(F)(F)F)cc3)cc2)cc(C(=O)O)c1C

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 1/20 0.47
EPHX2 P34913 1/20 0.47
AKR1C3 P42330 3/20 0.45
ALDH1A1 P00352 5/20 0.44
MCL1 Q07820 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.42
TBXA2R P21731 1/20 0.42
TBXAS1 P24557 1/20 0.42
PKM P14618 1/20 0.41
MAPK1 P28482 1/20 0.41
HTT P42858 1/20 0.41
ERBB2 P04626 1/20 0.40
ERBB4 Q15303 1/20 0.40
POLB P06746 1/20 0.40
TP53 P04637 1/20 0.40
MAPK14 Q16539 1/20 0.40
PPARA Q07869 1/20 0.40
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
MAPT P10636 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
SCHEMBL4897713 0.92 ERBB2 (0.49) AKR1C3ALDH1A1MCL1TBXA2RTBXAS1
SCHEMBL4906408 0.91 ALDH1A1 (0.44) LTA4HEPHX2AKR1C3ALDH1A1MCL1
SCHEMBL4904440 0.91 LTA4H (0.47) LTA4HEPHX2AKR1C3ALDH1A1SMN1; SMN2
SCHEMBL4897625 0.91 KDM1A (0.46) AKR1C3ALDH1A1SMN1; SMN2PKMMAPK1
SCHEMBL4894652 0.89 LMNA (0.50) LTA4HEPHX2AKR1C3ALDH1A1MCL1
SCHEMBL4906257 0.89 ALDH1A1 (0.54) LTA4HEPHX2AKR1C3ALDH1A1SMN1; SMN2
SCHEMBL4903984 0.89 AKR1C3 (0.53) EPHX2AKR1C3ALDH1A1SMN1; SMN2TBXA2R
SCHEMBL4905199 0.88 HTT (0.53) AKR1C3ALDH1A1SMN1; SMN2TBXA2RTBXAS1
SCHEMBL4895621 0.87 AKR1C3 (0.53) AKR1C3ALDH1A1TBXA2RTP53MEN1
SCHEMBL4900618 0.87 PKM (0.48) AKR1C3ALDH1A1SMN1; SMN2TBXA2RTBXAS1

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 LTA4H 2962/4885EPHX2 3463/4885AKR1C3 1645/4885
US-20080090829-A1 SUBSTITUTED HETEROARYL- AND PHENYLSULFAMOYL COMPOUNDS PPARA, PPARG, PPARD LTA4H 2962/4885EPHX2 3463/4885AKR1C3 1645/4885

“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.