SCHEMBL4902498

SCHEMBL4902498

COc1cc(C)c(C(=O)O)cc1S(=O)(=O)NCCc1ccc(Oc2ccccc2)cc1

nearest known ligand 0.58

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.58
SMN1; SMN2 Q16637 1/20 0.58
AKR1C3 P42330 2/20 0.49
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
MAPT P10636 2/20 0.48
KDM4E B2RXH2 1/20 0.48
F10 P00742 1/20 0.47
CYP1A2 P05177 1/20 0.47
CYP2C19 P33261 1/20 0.47
HTT P42858 2/20 0.47
POLB P06746 1/20 0.46
TP53 P04637 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.45
SGMS1 Q86VZ5 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
SCHEMBL14198656 0.91 HTT (0.54) ALDH1A1SMN1; SMN2MEN1KMT2AMAPT
SCHEMBL4906326 0.82 MTNR1A (0.54) ALDH1A1SMN1; SMN2MAPTKDM4EHTT
SCHEMBL4902642 0.81 LMNA (0.60) ALDH1A1SMN1; SMN2AKR1C3MAPTPOLB
SCHEMBL4903984 0.78 AKR1C3 (0.53) ALDH1A1SMN1; SMN2AKR1C3MEN1KMT2A
SCHEMBL11170701 0.76 ALDH1A1 (0.51) ALDH1A1SMN1; SMN2MAPTKDM4EF10
SCHEMBL29123955 0.76 MAPT (0.72) ALDH1A1SMN1; SMN2AKR1C3MEN1KMT2A
SCHEMBL4903809 0.76 ALDH1A1 (0.55) ALDH1A1SMN1; SMN2AKR1C3MEN1KMT2A
SCHEMBL11186378 0.74 MAPT (0.67) ALDH1A1SMN1; SMN2AKR1C3MEN1KMT2A
SCHEMBL7516738 0.74 MAPT (0.62) ALDH1A1SMN1; SMN2AKR1C3MEN1KMT2A
SCHEMBL4902509 0.74 NSD2 (0.52) SMN1; SMN2MEN1KMT2AMAPTCYP1A2

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 ALDH1A1 2664/4885SMN1; SMN2 3271/4885AKR1C3 1604/4885
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.