SCHEMBL19962139

SCHEMBL19962139

CN(C(=O)[C@H](Cc1cc(F)cc(F)c1)NC(=O)CN1c2ccccc2N(CC(=O)N[C@@H](Cc2cc(F)cc(F)c2)C(=O)N(C)c2ccc3snnc3c2)S1(=O)=O)c1ccc2snnc2c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.36
MEN1 O00255 4/20 0.36
KMT2A Q03164 4/20 0.36
NPC1 O15118 3/20 0.36
RAB9A P51151 3/20 0.36
LMNA P02545 2/20 0.36
GFER P55789 1/20 0.36
MCL1 Q07820 1/20 0.36
NOX1 Q9Y5S8 1/20 0.36
PYGL P06737 1/20 0.35
SMN1; SMN2 Q16637 5/20 0.34
TP53 P04637 4/20 0.33
ALDH1A1 P00352 3/20 0.33
KDM4E B2RXH2 2/20 0.33
MAPK1 P28482 1/20 0.33
HSD17B10 Q99714 1/20 0.33
MMP9 P14780 2/20 0.32
MMP8 P22894 2/20 0.32
HTT P42858 1/20 0.32
MMP14 P50281 1/20 0.32

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
SCHEMBL19969215 1.00 MAPT (0.36) MAPTMEN1KMT2ANPC1RAB9A
SCHEMBL19969216 0.94 MEN1 (0.33) MAPTMEN1KMT2ANPC1RAB9A
SCHEMBL19962032 0.93 PYGL (0.33) MAPTMEN1KMT2ANPC1RAB9A
SCHEMBL19969008 0.88 PYGL (0.35) PYGLMMP9MMP8MMP14
SCHEMBL18180288 0.88 PYGL (0.35) PYGLMMP9MMP8MMP14
SCHEMBL19969188 0.86 PYGL (0.36) PYGLMMP9MMP8MMP14
SCHEMBL19962083 0.86 PYGL (0.36) PYGLMMP9MMP8MMP14
SCHEMBL18171816 0.83 MAPT (0.43) MAPTMEN1KMT2ANPC1RAB9A
SCHEMBL19962022 0.83 PYGL (0.37) PYGLMMP9MMP8MMP14
SCHEMBL19969320 0.83 PYGL (0.37) PYGLMMP9MMP8MMP14

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

“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.