SCHEMBL19962091

SCHEMBL19962091

Cc1ccc(N(C)C(=O)[C@H](Cc2cc(F)cc(F)c2)NC(=O)CN2c3ccccc3N(CC(=O)N[C@@H](Cc3cc(F)cc(F)c3)C(=O)N(C)c3ccc(C)nc3)S2(=O)=O)nc1

nearest known ligand 0.34

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CMA1 P23946 6/20 0.34
CTRC Q99895 5/20 0.34
PYGL P06737 1/20 0.33
PSEN1 P49768 3/20 0.32
PSEN2 P49810 3/20 0.32
APH1B Q8WW43 3/20 0.32
NCSTN Q92542 3/20 0.32
APH1A Q96BI3 3/20 0.32
PSENEN Q9NZ42 3/20 0.32
GSAP A4D1B5 1/20 0.30
OXTR P30559 1/20 0.30
MMP9 P14780 1/20 0.30
MMP8 P22894 1/20 0.30
MMP14 P50281 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
SCHEMBL19962022 0.93 PYGL (0.37) CMA1CTRCPYGLPSEN1PSEN2
SCHEMBL19969320 0.93 PYGL (0.37) CMA1CTRCPYGLPSEN1PSEN2
SCHEMBL19962092 0.84 OXTR (0.36) CMA1PYGLOXTR
SCHEMBL19962078 0.82 OXTR (0.41) PYGLOXTR
SCHEMBL19969150 0.82 OXTR (0.41) PYGLOXTR
SCHEMBL19962061 0.81 PYGL (0.34) CMA1CTRCPYGLPSEN1PSEN2
SCHEMBL19962095 0.81 PYGL (0.37) CMA1CTRCPYGLPSEN1PSEN2
SCHEMBL19969222 0.81 PYGL (0.37) CMA1CTRCPYGLPSEN1PSEN2
SCHEMBL19969188 0.79 PYGL (0.36) PYGLPSEN1PSEN2APH1BNCSTN
SCHEMBL19962083 0.79 PYGL (0.36) PYGLPSEN1PSEN2APH1BNCSTN

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 CMA1 2432/4885CTRC 3599/4885PYGL 498/4885

“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.