SCHEMBL19962014

SCHEMBL19962014

CN(C(=O)[C@H](Cc1cc(F)cc(F)c1)NC(=O)c1cccc(C(=O)N[C@@H](Cc2cc(F)cc(F)c2)C(=O)N(C)c2ccc3scnc3c2)c1Cl)c1ccc2sccc2c1

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PYGL P06737 4/20 0.36
PIN1 Q13526 1/20 0.33
ITGB3 P05106 1/20 0.32
ITGB1 P05556 1/20 0.32
ITGAV P06756 1/20 0.32
ITGA5 P08648 1/20 0.32
MRGPRX4 Q96LA9 1/20 0.31
PDE10A Q9Y233 1/20 0.31
PSMB5 P28074 1/20 0.31
HSD11B1 P28845 1/20 0.30
CTSV O60911 1/20 0.30
CTSL P07711 1/20 0.30
CTSB P07858 1/20 0.30
CTSS P25774 1/20 0.30
TLR3 O15455 1/20 0.30
ERAP1 Q9NZ08 2/20 0.30
KMT2A Q03164 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
SCHEMBL18180174 0.94 PYGL (0.35) PYGLPIN1ITGB3ITGB1ITGAV
SCHEMBL18179907 0.94 PYGL (0.35) PYGLPIN1ITGB3ITGB1ITGAV
SCHEMBL19962038 0.90 PIN1 (0.39) PYGLPIN1MRGPRX4PDE10AKMT2A
SCHEMBL19969213 0.89 PYGL (0.33) PYGLITGB3ITGB1ITGAVITGA5
SCHEMBL19962064 0.87 PIN1 (0.36) PYGLPIN1PDE10APSMB5KMT2A
SCHEMBL19962013 0.87 PYGL (0.34) PYGLPIN1PDE10A
SCHEMBL19962065 0.86 NOS2 (0.33) PYGLPDE10A
SCHEMBL19962042 0.86 PYGL (0.34) PYGLPIN1PDE10ACTSL
SCHEMBL19962046 0.86 BACE1 (0.34) PYGLPIN1PDE10A
SCHEMBL19962027 0.84 KMT2A (0.33) PYGLKMT2A

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 498/4885PIN1 1030/4885ITGB3 4371/4885

“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.