SCHEMBL4906408

SCHEMBL4906408

COC(=O)c1cc(S(=O)(=O)NCCc2ccc(Oc3ccc(C(F)(F)F)cc3)cc2)cc(C)c1C

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
LTA4H P09960 1/20 0.44
EPHX2 P34913 1/20 0.44
AKR1C3 P42330 1/20 0.42
MCL1 Q07820 1/20 0.41
ERBB2 P04626 1/20 0.41
ERBB4 Q15303 1/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
GAA P10253 1/20 0.41
MAPT P10636 2/20 0.40
PKM P14618 1/20 0.40
MAPK1 P28482 1/20 0.40
HTT P42858 1/20 0.40
POLB P06746 1/20 0.39
TBXA2R P21731 1/20 0.39
TBXAS1 P24557 1/20 0.39
LMNA P02545 1/20 0.38
TP53 P04637 1/20 0.38

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
SCHEMBL4895638 0.92 ERBB2 (0.44) ALDH1A1SMN1; SMN2AKR1C3ERBB2ERBB4
SCHEMBL4904169 0.92 ALDH1A1 (0.46) ALDH1A1SMN1; SMN2LTA4HEPHX2AKR1C3
SCHEMBL4894408 0.92 ERBB2 (0.51) ALDH1A1SMN1; SMN2AKR1C3MCL1ERBB2
SCHEMBL4906290 0.91 LTA4H (0.47) ALDH1A1SMN1; SMN2LTA4HEPHX2AKR1C3
SCHEMBL4906499 0.90 ALDH1A1 (0.48) ALDH1A1SMN1; SMN2LTA4HEPHX2AKR1C3
SCHEMBL4898037 0.89 ALDH1A1 (0.56) ALDH1A1SMN1; SMN2LTA4HEPHX2AKR1C3
SCHEMBL4906174 0.88 HTT (0.52) ALDH1A1SMN1; SMN2AKR1C3MEN1KMT2A
SCHEMBL4903947 0.88 MEN1 (0.51) ALDH1A1SMN1; SMN2AKR1C3MEN1KMT2A
SCHEMBL4904277 0.87 MAPT (0.50) ALDH1A1SMN1; SMN2AKR1C3MEN1KMT2A
SCHEMBL4906445 0.87 PKM (0.47) ALDH1A1SMN1; SMN2AKR1C3MEN1KMT2A

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 ALDH1A1 2956/4885SMN1; SMN2 3404/4885LTA4H 2962/4885
US-20080090829-A1 SUBSTITUTED HETEROARYL- AND PHENYLSULFAMOYL COMPOUNDS PPARA, PPARG, PPARD ALDH1A1 2956/4885SMN1; SMN2 3404/4885LTA4H 2962/4885

“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.