SCHEMBL13508987

SCHEMBL13508987

CS(=O)(=O)n1c(=O)[nH]c2ccccc2c1=O

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 1/20 0.59
ADORA2A P29274 1/20 0.59
ADORA2B P29275 1/20 0.59
ADORA1 P30542 1/20 0.59
ALDH1A1 P00352 7/20 0.54
CA12 O43570 1/20 0.54
RNASEH1 O60930 1/20 0.54
ERCC1 P07992 1/20 0.54
ERCC5 P28715 1/20 0.54
FEN1 P39748 1/20 0.54
CA9 Q16790 1/20 0.54
ERCC4 Q92889 1/20 0.54
CYP1A2 P05177 1/20 0.54
KDM4E B2RXH2 5/20 0.49
HPGD P15428 4/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
ALOX5 P09917 1/20 0.49
NPEPPS P55786 2/20 0.48
L3MBTL1 Q9Y468 1/20 0.45
MPO P05164 2/20 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
SCHEMBL2597418 0.83 ALDH1A1 (0.59) ADORA3ADORA2AADORA2BADORA1ALDH1A1
SCHEMBL6980480 0.80 CMA1 (0.57) ADORA3ADORA2AADORA2BADORA1ALDH1A1
SCHEMBL4434568 0.79 DAO (0.52) ADORA3ADORA2AADORA2BADORA1ALDH1A1
SCHEMBL9257755 0.76 ADORA3 (0.54) ADORA3ADORA2AADORA2BADORA1ALDH1A1
SCHEMBL7467460 0.75 CMA1 (0.75) ADORA3ADORA2AADORA2BADORA1ALDH1A1
SCHEMBL6982044 0.74 CMA1 (0.48) ADORA3ADORA2AADORA2BADORA1ALDH1A1
SCHEMBL29897963 0.74 ADORA3 (1.00) ADORA3ADORA2AADORA2BADORA1ALDH1A1
SCHEMBL430775 0.74 ADORA3 (1.00) ADORA3ADORA2AADORA2BADORA1ALDH1A1
SCHEMBL13947065 0.71 ALDH1A1 (0.61) ADORA3ADORA2AADORA2BADORA1ALDH1A1
SCHEMBL19577287 0.71 ALDH1A1 (0.61) ADORA3ADORA2AADORA2BADORA1ALDH1A1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100029695-A1 METHOD OF TREATING DERMATITIS COMPRISING ADMINISTERING A CHYMASE INHIBITOR ASUBIO PHARMA CO., LTD. (JP) 2010-02-04 US disclosed
US-7618977-B2 Method of treating dermatitis comprising administering a chymase inhibitor ASUBIO PHARMA CO., LTD. (JP) 2009-11-17 US disclosed
US-7169951-B2 Quinazoline derivatives and pharmaceutical applications thereof DAIICHI ASUBIO PHARMA CO., LTD. (JP) 2007-01-30 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 (1 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-20100029695-A1 METHOD OF TREATING DERMATITIS COMPRISING ADMINISTERING A CHYMASE INHIBITOR CMA1, DNPEP, SERPINB1 ADORA3 2446/4885ADORA2A 3309/4885ADORA2B 3262/4885

“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.