SCHEMBL4904527

SCHEMBL4904527

COC(=O)c1cc(S(=O)(=O)NCCc2ccc(Oc3ccc(OC(F)(F)F)cc3)cc2)ccc1C

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
AKR1C3 P42330 1/20 0.47
LTA4H P09960 1/20 0.47
EPHX2 P34913 1/20 0.47
MAPT P10636 3/20 0.47
MMP2 P08253 1/20 0.47
MMP9 P14780 1/20 0.47
TP53 P04637 2/20 0.46
PKM P14618 1/20 0.46
MAPK1 P28482 1/20 0.46
HTT P42858 1/20 0.46
LMNA P02545 2/20 0.45
POLB P06746 1/20 0.45
RECQL P46063 1/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
FFAR4 Q5NUL3 1/20 0.44

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
SCHEMBL4899793 0.94 ALDH1A1 (0.50) ALDH1A1SMN1; SMN2AKR1C3MAPTTP53
SCHEMBL4907127 0.93 LMNA (0.51) ALDH1A1SMN1; SMN2AKR1C3LTA4HEPHX2
SCHEMBL4906499 0.92 ALDH1A1 (0.48) ALDH1A1SMN1; SMN2AKR1C3LTA4HEPHX2
SCHEMBL4903989 0.91 ALDH1A1 (0.61) ALDH1A1SMN1; SMN2AKR1C3MAPTTP53
SCHEMBL4903854 0.90 ALDH1A1 (0.48) ALDH1A1SMN1; SMN2AKR1C3LTA4HEPHX2
SCHEMBL4904169 0.90 ALDH1A1 (0.46) ALDH1A1SMN1; SMN2AKR1C3LTA4HEPHX2
SCHEMBL4902663 0.89 PKM (0.53) ALDH1A1SMN1; SMN2AKR1C3MAPTTP53
SCHEMBL4903809 0.89 ALDH1A1 (0.55) ALDH1A1SMN1; SMN2AKR1C3MAPTMMP2
SCHEMBL4895834 0.88 MAPT (0.56) ALDH1A1SMN1; SMN2AKR1C3MAPTTP53
SCHEMBL4895763 0.88 MAPT (0.51) ALDH1A1SMN1; SMN2AKR1C3MAPTTP53

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 3404/4885AKR1C3 1645/4885
US-20080090829-A1 SUBSTITUTED HETEROARYL- AND PHENYLSULFAMOYL COMPOUNDS PPARA, PPARG, PPARD ALDH1A1 2956/4885SMN1; SMN2 3404/4885AKR1C3 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.