SCHEMBL19962137

SCHEMBL19962137

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)c1ccc(=O)n(C)c1)c1ccc(=O)n(C)c1

nearest known ligand 0.31

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.31
CA7 P43166 1/20 0.31
CA9 Q16790 1/20 0.31
CA14 Q9ULX7 1/20 0.31
FOLH1 Q04609 1/20 0.31
PYGL P06737 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
SCHEMBL19962156 0.85 PSMB5 (0.35) CA12CA7CA9CA14FOLH1
SCHEMBL19969154 0.85 PSMB5 (0.35) CA12CA7CA9CA14FOLH1
SCHEMBL19962136 0.84 CA12 (0.35) CA12CA7CA9CA14FOLH1
SCHEMBL19962134 0.84 ALDH1A1 (0.34) CA12CA7CA9CA14FOLH1
SCHEMBL19969234 0.84 CA12 (0.41) CA12CA7CA9CA14PYGL
SCHEMBL18179923 0.84 CA12 (0.41) CA12CA7CA9CA14PYGL
SCHEMBL19962144 0.82 ALDH1A1 (0.36)
SCHEMBL18180411 0.82 ALDH1A1 (0.36) CA12CA7CA9CA14FOLH1
SCHEMBL18180321 0.82 F2 (0.37) CA12CA7CA9CA14FOLH1
SCHEMBL18180124 0.82 BMP1 (0.40) CA12CA7CA9CA14

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 CA12 4684/4885CA7 3975/4885CA9 4244/4885

“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.