SCHEMBL19951483

SCHEMBL19951483

CN(C(=O)C(Cc1cc(F)cc(F)c1)NC(=O)OC(C)(C)C)c1ccc2sncc2c1

nearest known ligand 0.41

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CTSS P25774 11/20 0.41
CTSK P43235 10/20 0.41
PTPN1 P18031 2/20 0.36
ACE P12821 1/20 0.36
CTSB P07858 3/20 0.35
CTSL P07711 1/20 0.35
SCN9A Q15858 1/20 0.34
KLK5 Q9Y337 1/20 0.34
TRPM5 Q9NZQ8 1/20 0.34

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
SCHEMBL18171829 0.88 TRPM5 (0.38) TRPM5
SCHEMBL18180340 0.83 CTSS (0.41) CTSSCTSKPTPN1ACECTSB
SCHEMBL16682040 0.82 CTSS (0.41) CTSSCTSKPTPN1ACECTSB
SCHEMBL18180269 0.82 CTSS (0.47) CTSSCTSKPTPN1ACECTSB
SCHEMBL18181342 0.81 CTSS (0.46) CTSSCTSKPTPN1ACECTSB
SCHEMBL18180207 0.81 ITGA4 (0.41) CTSSCTSKPTPN1ACECTSB
SCHEMBL19962117 0.81 CTSS (0.46) CTSSCTSKPTPN1ACECTSB
SCHEMBL18317296 0.81 CTSS (0.46) CTSSCTSKPTPN1ACECTSB
SCHEMBL18180261 0.81 CTSS (0.46) CTSSCTSKPTPN1ACECTSB
SCHEMBL18180278 0.81 CTSS (0.47) CTSSCTSKPTPN1ACECTSB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180072997-A1 INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION BRISTOL-MYERS SQUIBB COMPANY 2018-03-15 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-20180072997-A1 INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION EIF2AK2, POLR2H, POLR2E CTSS 2266/4885CTSK 3289/4885PTPN1 4193/4885

“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.