SCHEMBL19969347

SCHEMBL19969347

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)c1cnc2c(cnn2C)c1)c1ccc2c(cnn2C)c1

nearest known ligand 0.33

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.33
NAMPT P43490 2/20 0.32
CACNA1H O95180 2/20 0.32
SCN9A Q15858 1/20 0.31
MAOB P27338 1/20 0.30
ELANE P08246 1/20 0.30

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
SCHEMBL19962142 0.94 MAPK1 (0.35) MAPK1NAMPTCACNA1HSCN9AMAOB
SCHEMBL19962068 0.93 TRPV1 (0.35) NAMPTCACNA1H
SCHEMBL19962056 0.89 TRPV1 (0.35) MAPK1NAMPTCACNA1HSCN9AMAOB
SCHEMBL19969333 0.88 ALDH1A1 (0.33) MAPK1CACNA1H
SCHEMBL19962029 0.80 FOLH1 (0.34)
SCHEMBL19962144 0.80 ALDH1A1 (0.36)
SCHEMBL19962149 0.79 ANPEP (0.31)
SCHEMBL19969224 0.79 ANPEP (0.31)
SCHEMBL19968983 0.78 FOLH1 (0.33)
SCHEMBL19969118 0.78 FOLH1 (0.33)

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 MAPK1 2073/4885NAMPT 1254/4885CACNA1H 4352/4885

“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.