SCHEMBL20007412

SCHEMBL20007412

CCc1ccc(N(C)C(=O)[C@H](CCc2cc(F)cc(F)c2)NC(=O)OC(C)(C)C)cc1

nearest known ligand 0.41

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CTSK P43235 6/20 0.41
CTSS P25774 4/20 0.41
PTPN1 P18031 1/20 0.37
JAK3 P52333 1/20 0.37
BTK Q06187 1/20 0.37
KCNQ4 P56696 2/20 0.37
KCNQ5 Q9NR82 2/20 0.37

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
SCHEMBL19969271 0.90 CTSK (0.41) CTSKCTSSPTPN1JAK3BTK
SCHEMBL18180278 0.90 CTSS (0.47) CTSKCTSSPTPN1
SCHEMBL18181204 0.84 CTSK (0.45) CTSKCTSSPTPN1
SCHEMBL20007132 0.84 AOC3 (0.37) CTSKCTSS
SCHEMBL18181211 0.81 CTSS (0.48) CTSKCTSSPTPN1
SCHEMBL19962117 0.80 CTSS (0.46) CTSKCTSSPTPN1
SCHEMBL18317296 0.80 CTSS (0.46) CTSKCTSSPTPN1
SCHEMBL18180261 0.80 CTSS (0.46) CTSKCTSSPTPN1
SCHEMBL18179931 0.79 CTSS (0.53) CTSKCTSSPTPN1
SCHEMBL19969242 0.79 CTSS (0.53) CTSKCTSSPTPN1

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-10221129-B2 Inhibitors of human immunodeficiency virus replication VIIV Healthcare UK (No.5) Limited (GB) 2019-03-05 US disclosed
US-20180086697-A1 INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION BRISTOL-MYERS SQUIBB COMPANY 2018-03-29 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 (2 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-10221129-B2 Inhibitors of human immunodeficiency virus replication EIF2AK2, POLR2E, POLR2H CTSK 2613/4885CTSS 1470/4885PTPN1 3910/4885
US-20180086697-A1 INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION EIF2AK2, POLR2E, POLR2H CTSK 2613/4885CTSS 1470/4885PTPN1 3910/4885

“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.