SCHEMBL4957467

SCHEMBL4957467

O=CS(=O)(=O)NC1CCC1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 3/20 0.48
CA7 P43166 3/20 0.48
CA14 Q9ULX7 3/20 0.48
CA1 P00915 2/20 0.48
CA2 P00918 1/20 0.44
ADH1B P00325 3/20 0.44
ADH1C P00326 3/20 0.44
ADH1A P07327 3/20 0.44
ADH7 P40394 2/20 0.44
CA9 Q16790 1/20 0.43
HSP90AA1 P07900 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
MAPK1 P28482 2/20 0.42
KDM4E B2RXH2 1/20 0.40
RECQL P46063 1/20 0.40
ADH4 P08319 1/20 0.37
ALDH1A1 P00352 2/20 0.33
CYP3A4 P08684 1/20 0.33
TSHR P16473 1/20 0.33
HTT P42858 1/20 0.33

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
SCHEMBL10693905 0.73 CA12 (0.52) CA12CA7CA14CA1CA2
SCHEMBL1706356 0.73 CA12 (0.83) CA12CA7CA14CA1CA2
SCHEMBL1434773 0.69
SCHEMBL11839351 0.69
SCHEMBL1644220 0.69
SCHEMBL1659874 0.69
SCHEMBL1727803 0.69
Cyclamic Acid SCHEMBL16195971 0.67 CA1 (0.56) CA12CA7CA14CA1CA2
SCHEMBL18025290 0.67 CA12 (0.44) CA12CA7CA14CA1CA2
SCHEMBL18855930 0.67 CA12 (0.56) CA12CA7CA14CA1CA2

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-8507722-B2 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2013-08-13 US disclosed
US-8343477-B2 Viricides; serine protease inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2013-01-01 US disclosed
US-20080107624-A1 Inhibitors of Hepatitis C Virus BRISTOL-MYERS SQUIBB COMPANY 2008-05-08 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-20080107624-A1 Inhibitors of Hepatitis C Virus HAVCR2, MRPS23, HCCS CA12 4414/4885CA7 4715/4885CA14 4359/4885

“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.