SCHEMBL13764396

SCHEMBL13764396

CS(=O)(=O)c1ccc(CCNC(=S)Nc2ccccc2)cc1

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.76
CA2 P00918 6/20 0.76
LMNA P02545 6/20 0.76
CA1 P00915 5/20 0.76
CA9 Q16790 5/20 0.76
CA12 O43570 3/20 0.76
THRB P10828 1/20 0.76
RAB9A P51151 3/20 0.68
MAOA P21397 2/20 0.68
MAOB P27338 2/20 0.68
NPC1 O15118 1/20 0.68
DUSP3 P51452 1/20 0.68
PTPN11 Q06124 1/20 0.68
TAAR1 Q96RJ0 1/20 0.68
MAPT P10636 8/20 0.65
HPGD P15428 1/20 0.65
KMT2A Q03164 7/20 0.62
MEN1 O00255 5/20 0.62
MAPK1 P28482 2/20 0.62
GAA P10253 1/20 0.62

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
SCHEMBL6564517 0.89 RAB9A (0.67) ALDH1A1CA2LMNACA1CA9
SCHEMBL13764395 0.87 CA2 (0.78) ALDH1A1CA2LMNACA1CA9
SCHEMBL13764561 0.86 CA2 (1.00) ALDH1A1CA2LMNACA1CA9
SCHEMBL1520437 0.82 RAB9A (1.00) ALDH1A1CA2LMNACA1CA9
SCHEMBL14612489 0.80 RAB9A (0.77) ALDH1A1CA2LMNACA1CA9
SCHEMBL11887688 0.79 CA2 (1.00) ALDH1A1CA2LMNACA1CA9
SCHEMBL22289694 0.79 RAB9A (0.79) ALDH1A1CA2LMNACA1CA9
SCHEMBL4625331 0.77 GAA (0.51) ALDH1A1CA2LMNACA1CA9
SCHEMBL8615629 0.77 RAB9A (0.81) ALDH1A1CA2LMNACA1CA9
SCHEMBL13785020 0.76 CA2 (0.87) ALDH1A1CA2LMNACA1CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8877970-B2 Inhibitors of carbonic anhydrase IX MOLECULAR INSIGHT PHARMACEUTICALS, INC. (US) 2014-11-04 US disclosed
US-20090175794-A1 INHIBITORS OF CARBONIC ANHYDRASE IX MOLECULAR INSIGHT PHARMACEUTICALS, INC. 2009-07-09 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-20090175794-A1 INHIBITORS OF CARBONIC ANHYDRASE IX CA9, CA12, CA1 ALDH1A1 2166/4885CA2 7/4885LMNA 4442/4885

“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.