SCHEMBL19962162

SCHEMBL19962162

CN(C(=O)[C@H](Cc1cc(F)cc(F)c1)NC(=O)NS(=O)(=O)N[C@@H](Cc1cc(F)cc(F)c1)C(=O)N(C)c1cccnc1)c1cccnc1

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 5/20 0.35
NLRP3 Q96P20 1/20 0.35
TRPV1 Q8NER1 1/20 0.34
POLQ O75417 1/20 0.34
CTSB P07858 4/20 0.34
BACE1 P56817 4/20 0.34
KCNA5 P22460 2/20 0.34
CA12 O43570 1/20 0.33
CA7 P43166 1/20 0.33
CA9 Q16790 1/20 0.33
CA14 Q9ULX7 1/20 0.33
USP30 Q70CQ3 1/20 0.33
KCNH2 Q12809 1/20 0.33
NOTUM Q6P988 1/20 0.33
PYGL P06737 1/20 0.33
GPR132 Q9UNW8 1/20 0.32

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
SCHEMBL18179923 0.88 CA12 (0.41) CA12CA7CA9CA14PYGL
SCHEMBL19969234 0.88 CA12 (0.41) CA12CA7CA9CA14PYGL
SCHEMBL19962029 0.87 FOLH1 (0.34) CA12CA7CA9CA14PYGL
SCHEMBL19962074 0.84 FOLH1 (0.33)
SCHEMBL19969224 0.84 ANPEP (0.31) CA12CA7CA9CA14PYGL
SCHEMBL19962149 0.84 ANPEP (0.31) CA12CA7CA9CA14PYGL
SCHEMBL19968983 0.84 FOLH1 (0.33) CA12CA7CA9CA14PYGL
SCHEMBL19969118 0.84 FOLH1 (0.33) CA12CA7CA9CA14PYGL
SCHEMBL19962031 0.84 FOLH1 (0.33) CTSBBACE1CA12CA7CA9
SCHEMBL19962156 0.84 PSMB5 (0.35) CA12CA7CA9CA14PYGL

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 NAMPT 1254/4885NLRP3 4235/4885TRPV1 4857/4885

“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.