SCHEMBL19969150

SCHEMBL19969150

COc1ccc(N(C)C(=O)C(Cc2cc(F)cc(F)c2)NC(=O)CN2c3ccccc3N(CC(=O)NC(Cc3cc(F)cc(F)c3)C(=O)N(C)c3ccc(OC)nc3)S2(=O)=O)cn1

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
OXTR P30559 11/20 0.41
AVPR1A P37288 4/20 0.37
SCN9A Q15858 1/20 0.37
PYGL P06737 2/20 0.35
ROCK2 O75116 1/20 0.35
ROCK1 Q13464 1/20 0.35
KLKB1 P03952 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
NPC1 O15118 1/20 0.34
LMNA P02545 1/20 0.34
PKM P14618 1/20 0.34
ADORA2A P29274 1/20 0.34
ADORA2B P29275 1/20 0.34

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
SCHEMBL19962078 1.00 OXTR (0.41) OXTRAVPR1ASCN9APYGLROCK2
SCHEMBL19962092 0.93 OXTR (0.36) OXTRAVPR1ASCN9APYGLROCK2
SCHEMBL19962022 0.89 PYGL (0.37) OXTRSCN9APYGL
SCHEMBL19969320 0.89 PYGL (0.37) OXTRSCN9APYGL
SCHEMBL18180125 0.88 PYGL (0.40) PYGLMEN1KMT2ALMNA
SCHEMBL19969153 0.86 PYGL (0.36) PYGLROCK2ROCK1KMT2A
SCHEMBL19962159 0.86 PYGL (0.36) PYGLROCK2ROCK1KMT2A
SCHEMBL19962153 0.85 ROCK2 (0.35) SCN9APYGLROCK2ROCK1MEN1
SCHEMBL19969470 0.85 ROCK2 (0.35) SCN9APYGLROCK2ROCK1MEN1
SCHEMBL19969222 0.85 PYGL (0.37) SCN9APYGLROCK2ROCK1

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 OXTR 4775/4885AVPR1A 3448/4885SCN9A 4176/4885

“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.