SCHEMBL19969271

SCHEMBL19969271

CN(C(=O)[C@H](CCc1cc(F)cc(F)c1)NC(=O)OC(C)(C)C)c1ccc(C(C)(C)C)cc1

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CTSK P43235 6/20 0.41
CTSS P25774 5/20 0.41
JAK3 P52333 1/20 0.37
BTK Q06187 1/20 0.37
PPARG P37231 1/20 0.37
PPARA Q07869 1/20 0.37
SCN9A Q15858 1/20 0.36
PTPN1 P18031 1/20 0.35
ACE P12821 1/20 0.35
NR1H4 Q96RI1 1/20 0.35
CA2 P00918 1/20 0.35

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
SCHEMBL20007412 0.90 CTSK (0.41) CTSKCTSSJAK3BTKPTPN1
SCHEMBL19962117 0.90 CTSS (0.46) CTSKCTSSSCN9APTPN1ACE
SCHEMBL20007132 0.84 AOC3 (0.37) CTSKCTSS
SCHEMBL18181204 0.80 CTSK (0.45) CTSKCTSSPTPN1ACE
SCHEMBL18180261 0.80 CTSS (0.46) CTSKCTSSPPARGPPARAPTPN1
SCHEMBL18317296 0.80 CTSS (0.46) CTSKCTSSPPARGPPARAPTPN1
SCHEMBL18180278 0.80 CTSS (0.47) CTSKCTSSPTPN1ACE
SCHEMBL19969242 0.79 CTSS (0.53) CTSKCTSSPPARGPPARAPTPN1
SCHEMBL18179931 0.79 CTSS (0.53) CTSKCTSSPPARGPPARAPTPN1
SCHEMBL18317994 0.79 CTSS (0.46) CTSKCTSSPPARGPPARAPTPN1

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 CTSK 3289/4885CTSS 2266/4885JAK3 2218/4885

“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.