SCHEMBL19962115

SCHEMBL19962115

CN(C(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)c1ccc(C(C)(C)C)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSS P25774 4/20 0.55
CTSK P43235 3/20 0.55
CTSB P07858 2/20 0.55
CTSL P07711 1/20 0.55
ACE P12821 1/20 0.53
KDM1A O60341 1/20 0.52
MAOA P21397 1/20 0.52
AKT1 P31749 1/20 0.51
ALDH1A1 P00352 2/20 0.49
KMT2A Q03164 2/20 0.49
KLK5 Q9Y337 1/20 0.49
MEN1 O00255 1/20 0.49
LMNA P02545 1/20 0.49
ATM Q13315 1/20 0.48
MAPK1 P28482 1/20 0.47
REN P00797 1/20 0.47
PTPN1 P18031 1/20 0.47
PPARA Q07869 2/20 0.46
PPARG P37231 1/20 0.46
MAPT P10636 1/20 0.46

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
SCHEMBL19969174 0.92 CTSS (0.60) CTSSCTSKCTSBCTSLACE
SCHEMBL18057248 0.92 CTSS (0.60) CTSSCTSKCTSBCTSLACE
SCHEMBL23937297 0.89 CTSS (0.55) CTSSCTSKCTSBCTSLACE
SCHEMBL20427678 0.88 CTSS (0.54) CTSSCTSKCTSBCTSLACE
SCHEMBL18180230 0.88 CTSS (0.54) CTSSCTSKCTSBCTSLACE
SCHEMBL16681983 0.88 CTSS (0.54) CTSSCTSKCTSBCTSLACE
SCHEMBL19962117 0.86 CTSS (0.46) CTSSCTSKCTSBCTSLACE
SCHEMBL23092706 0.85 CTSS (0.51) CTSSCTSKCTSBCTSLACE
SCHEMBL23092708 0.85 CTSS (0.51) CTSSCTSKCTSBCTSLACE
SCHEMBL1764798 0.83 CTSS (0.64) CTSSCTSKCTSBCTSLACE

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-20180072997-A1 INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION BRISTOL-MYERS SQUIBB COMPANY 2018-03-15 US disclosed
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 3289/4885CTSB 2746/4885

“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.