SCHEMBL19962033

SCHEMBL19962033

CCc1ncc(N(C)C(=O)[C@H](Cc2cc(F)cc(F)c2)NC(=O)NS(=O)(=O)N[C@@H](Cc2cc(F)cc(F)c2)C(=O)N(C)c2cnc(CC)nc2)cn1

nearest known ligand 0.31

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
FOLH1 Q04609 1/20 0.31
ANPEP P15144 1/20 0.31
NR3C1 P04150 1/20 0.30
PGR P06401 1/20 0.30
NR3C2 P08235 1/20 0.30
CA12 O43570 1/20 0.30
CA7 P43166 1/20 0.30
CA9 Q16790 1/20 0.30
CA14 Q9ULX7 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
SCHEMBL19962094 0.96 NR3C1 (0.31) NR3C1PGRNR3C2
SCHEMBL19969256 0.94 FOLH1 (0.33) FOLH1NR3C1PGRNR3C2
SCHEMBL19962149 0.90 ANPEP (0.31) FOLH1ANPEPNR3C1PGRNR3C2
SCHEMBL19969224 0.90 ANPEP (0.31) FOLH1ANPEPNR3C1PGRNR3C2
SCHEMBL19962031 0.88 FOLH1 (0.33) FOLH1ANPEPCA12CA7CA9
SCHEMBL19962163 0.86 NR3C1 (0.32) ANPEPNR3C1PGRNR3C2
SCHEMBL19962029 0.86 FOLH1 (0.34) FOLH1ANPEPNR3C1PGRNR3C2
SCHEMBL19962136 0.85 CA12 (0.35) FOLH1ANPEPNR3C1PGRNR3C2
SCHEMBL19962074 0.85 FOLH1 (0.33) FOLH1ANPEP
SCHEMBL19968983 0.84 FOLH1 (0.33) FOLH1ANPEPCA12CA7CA9

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 FOLH1 3511/4885ANPEP 2554/4885NR3C1 2931/4885

“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.