SCHEMBL19969216

SCHEMBL19969216

CN(C(=O)[C@H](Cc1cc(F)cc(F)c1)NC(=O)CN1c2ccccc2N(CC(=O)N[C@H](C=O)Cc2cc(F)cc(F)c2)S1(=O)=O)c1ccc2snnc2c1

nearest known ligand 0.33

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.33
KMT2A Q03164 3/20 0.33
MAPT P10636 2/20 0.33
NPC1 O15118 1/20 0.33
LMNA P02545 1/20 0.33
RAB9A P51151 1/20 0.33
GFER P55789 1/20 0.33
MCL1 Q07820 1/20 0.33
NOX1 Q9Y5S8 1/20 0.33
PYGL P06737 1/20 0.32
CAPN1 P07384 1/20 0.31
SMN1; SMN2 Q16637 2/20 0.31
KDM4E B2RXH2 1/20 0.30
ALDH1A1 P00352 1/20 0.30
TP53 P04637 1/20 0.30
MAPK1 P28482 1/20 0.30
HSD17B10 Q99714 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
SCHEMBL19962139 0.94 MAPT (0.36) MEN1KMT2AMAPTNPC1LMNA
SCHEMBL19969215 0.94 MAPT (0.36) MEN1KMT2AMAPTNPC1LMNA
SCHEMBL19962032 0.88 PYGL (0.33) MEN1KMT2AMAPTNPC1LMNA
SCHEMBL18180288 0.82 PYGL (0.35) PYGL
SCHEMBL19969008 0.82 PYGL (0.35) PYGL
SCHEMBL19969188 0.81 PYGL (0.36) PYGL
SCHEMBL19962083 0.81 PYGL (0.36) PYGL
SCHEMBL18171816 0.78 MAPT (0.43) MEN1KMT2AMAPTNPC1LMNA
SCHEMBL19962022 0.78 PYGL (0.37) PYGL
SCHEMBL19969320 0.78 PYGL (0.37) PYGL

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 MEN1 4064/4885KMT2A 3986/4885MAPT 1843/4885

“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.