SCHEMBL5879758

SCHEMBL5879758

Cc1ccc(S(=O)(=O)c2ccccc2C=O)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 1/20 0.55
CYP2C19 P33261 1/20 0.55
GAA P10253 2/20 0.52
KDM4E B2RXH2 3/20 0.48
UBE2N P61088 1/20 0.48
HTT P42858 2/20 0.47
TSHR P16473 2/20 0.47
SMN1; SMN2 Q16637 1/20 0.46
ALDH1A1 P00352 4/20 0.44
NPSR1 Q6W5P4 1/20 0.44
RXFP1 Q9HBX9 1/20 0.44
TLR9 Q9NR96 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
RAPGEF4 Q8WZA2 1/20 0.42
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
LMNA P02545 2/20 0.41
THRB P10828 1/20 0.41
BLM P54132 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
SCHEMBL709683 0.85 TSHR (0.62) GAAKDM4EHTTTSHRALDH1A1
SCHEMBL11131291 0.84 GAA (0.50) CYP2C9CYP2C19GAAKDM4EHTT
SCHEMBL11853033 0.82 GAA (0.68) GAAKDM4EHTTSMN1; SMN2ALDH1A1
SCHEMBL31000980 0.82 GAA (0.68) GAAKDM4EHTTSMN1; SMN2ALDH1A1
SCHEMBL1468205 0.82 CYP2D6 (0.50) HTTTSHRALDH1A1MEN1KMT2A
SCHEMBL2269853 0.82 ALDH1A1 (0.52) KDM4EHTTTSHRSMN1; SMN2ALDH1A1
SCHEMBL3166437 0.82 HTT (0.47) CYP2C9CYP2C19HTTTSHRALDH1A1
SCHEMBL16494957 0.81 PKM (0.56) CYP2C9CYP2C19GAAHTTALDH1A1
SCHEMBL28016378 0.80 PPARG (0.48) GAAKDM4EHTTTSHRSMN1; SMN2
SCHEMBL16220186 0.78 KMT2A (0.50) GAAHTTTSHRSMN1; SMN2ALDH1A1

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-20200352921-A1 ARYL-SULFONAMIDE AND ARYL-SULFONE DERIVATIVES AS TRPML MODULATORS CALYGENE BIOTECHNOLGY INC (US) 2020-11-12 US disclosed
CN-110117264-A Phenyl sulfone derivative and its application on drug 广东东阳光药业有限公司 2019-08-13 CN disclosed
CN-101309910-A Process for obtaining valine derivatives for obtaining pharmaceutically active compounds INKE SA (ES) 2008-11-19 CN disclosed
US-7026339-B2 Inhibitors of HCV NS5B polymerase PFIZER INC. 2006-04-11 US disclosed
US-20050154056-A1 [(hetero)aryl or cycloalkylacetylhydrazono]methylbenzene derivatives, o-substituted with (hetero)aryl- or cycloalkyl- sulfonyloxy-, sulfonylamino-, S(O)0-2methyl-, or methoxy- groups, e.g., 3-chloro-2-((E)-{[(3-methoxyphenyl)acetyl]hydrazono}methyl)phenyl 4-(trifluoromethyl)benzenesulfonate PHARMACIA & UPJOHN COMPANY 2005-07-14 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-20200352921-A1 ARYL-SULFONAMIDE AND ARYL-SULFONE DERIVATIVES AS TRPML MODULATORS TRPM6, TRPM2, TRPM5 CYP2C9 3543/4885CYP2C19 2613/4885GAA 42/4885
US-20050154056-A1 [(hetero)aryl or cycloalkylacetylhydrazono]methylbenzene derivatives, o-substituted with (hetero)aryl- or cycloalkyl- sulfonyloxy-, sulfonylamino-, S(O)0-2methyl-, or methoxy- groups, e.g., 3-chloro-2-((E)-{[(3-methoxyphenyl)acetyl]hydrazono}methyl)phenyl 4-(trifluoromethyl)benzenesulfonate ACACB, HCCS, HAVCR2 CYP2C9 224/4885CYP2C19 661/4885GAA 1027/4885

“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.