SCHEMBL19969188

SCHEMBL19969188

CN(C(=O)C(Cc1cc(F)cc(F)c1)NC(=O)CN1c2ccccc2N(CC(=O)N[C@@H](Cc2cc(F)cc(F)c2)C(=O)N(C)c2ccc3sncc3c2)S1(=O)=O)c1ccc2sncc2c1

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PYGL P06737 5/20 0.36
TRPM5 Q9NZQ8 4/20 0.34
MMP9 P14780 2/20 0.33
MMP8 P22894 2/20 0.33
MET P08581 1/20 0.32
PSEN1 P49768 4/20 0.32
PSEN2 P49810 4/20 0.32
APH1B Q8WW43 4/20 0.32
NCSTN Q92542 4/20 0.32
APH1A Q96BI3 4/20 0.32
PSENEN Q9NZ42 4/20 0.32
MMP14 P50281 1/20 0.32
GSAP A4D1B5 1/20 0.32
S1PR1 P21453 1/20 0.31

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
SCHEMBL19962083 1.00 PYGL (0.36) PYGLTRPM5MMP9MMP8MET
SCHEMBL19962032 0.94 PYGL (0.33) PYGLTRPM5PSEN1PSEN2APH1B
SCHEMBL19969251 0.93 PYGL (0.32) PYGLTRPM5PSEN1PSEN2APH1B
SCHEMBL19969215 0.86 MAPT (0.36) PYGLMMP9MMP8MMP14
SCHEMBL19962139 0.86 MAPT (0.36) PYGLMMP9MMP8MMP14
SCHEMBL18171829 0.84 TRPM5 (0.38) PYGLTRPM5METPSEN1PSEN2
SCHEMBL19969320 0.84 PYGL (0.37) PYGLMMP9MMP8PSEN1PSEN2
SCHEMBL19962022 0.84 PYGL (0.37) PYGLMMP9MMP8PSEN1PSEN2
SCHEMBL18180288 0.84 PYGL (0.35) PYGLMMP9MMP8PSEN1PSEN2
SCHEMBL19969008 0.84 PYGL (0.35) PYGLMMP9MMP8PSEN1PSEN2

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 PYGL 498/4885TRPM5 4731/4885MMP9 3362/4885

“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.