SCHEMBL19969222

SCHEMBL19969222

CCc1ncc(N(C)C(=O)C(Cc2cc(F)cc(F)c2)NC(=O)CN2c3ccccc3N(CC(=O)N[C@@H](Cc3cc(F)cc(F)c3)C(=O)N(C)c3cnc(CC)nc3)S2(=O)=O)cn1

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PYGL P06737 2/20 0.37
MMP9 P14780 3/20 0.34
MMP8 P22894 3/20 0.34
MMP14 P50281 1/20 0.34
PSEN1 P49768 5/20 0.33
PSEN2 P49810 5/20 0.33
APH1B Q8WW43 5/20 0.33
NCSTN Q92542 5/20 0.33
APH1A Q96BI3 5/20 0.33
PSENEN Q9NZ42 5/20 0.33
CMA1 P23946 1/20 0.33
CTRC Q99895 1/20 0.33
GSAP A4D1B5 1/20 0.32
SCN9A Q15858 1/20 0.32
ROCK2 O75116 1/20 0.31
ROCK1 Q13464 1/20 0.31
GRIN2B Q13224 1/20 0.31
POLB P06746 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
SCHEMBL19962095 1.00 PYGL (0.37) PYGLMMP9MMP8MMP14PSEN1
SCHEMBL19962153 0.94 ROCK2 (0.35) PYGLMMP9MMP8MMP14PSEN1
SCHEMBL19962061 0.94 PYGL (0.34) PYGLMMP9MMP8MMP14PSEN1
SCHEMBL19969470 0.94 ROCK2 (0.35) PYGLMMP9MMP8MMP14PSEN1
SCHEMBL19969320 0.88 PYGL (0.37) PYGLMMP9MMP8MMP14PSEN1
SCHEMBL19962022 0.88 PYGL (0.37) PYGLMMP9MMP8MMP14PSEN1
SCHEMBL19962078 0.85 OXTR (0.41) PYGLSCN9AROCK2ROCK1
SCHEMBL19969150 0.85 OXTR (0.41) PYGLSCN9AROCK2ROCK1
SCHEMBL18180125 0.83 PYGL (0.40) PYGLMMP9MMP8POLB
SCHEMBL18180288 0.82 PYGL (0.35) PYGLMMP9MMP8MMP14PSEN1

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 498/4885MMP9 3362/4885MMP8 3127/4885

“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.