SCHEMBL19969103

SCHEMBL19969103

COc1ccc(N(C)C(=O)C(Cc2ccccc2)NC(=O)CC(=O)N[C@@H](Cc2ccccc2)C(=O)N(C)c2ccc(OC)cc2)cc1

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
FPR2 P25090 1/20 0.52
PYGL P06737 1/20 0.52
KDM1A O60341 1/20 0.51
MAOA P21397 1/20 0.51
KMT2A Q03164 2/20 0.49
NPC1 O15118 1/20 0.48
OPRM1 P35372 1/20 0.48
OPRD1 P41143 1/20 0.48
ATM Q13315 1/20 0.48
CNR2 P34972 1/20 0.48
POLB P06746 1/20 0.47
ALDH1A1 P00352 2/20 0.47
MEN1 O00255 1/20 0.47
LMNA P02545 1/20 0.47
ALOX15 P16050 1/20 0.47
ACE P12821 1/20 0.47

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
SCHEMBL18180188 1.00 FPR2 (0.52) FPR2PYGLKDM1AMAOAKMT2A
SCHEMBL18180120 0.94 CAPN1 (0.52) FPR2PYGLKDM1AMAOAPOLB
SCHEMBL19969115 0.94 CAPN1 (0.52) FPR2PYGLKDM1AMAOAPOLB
SCHEMBL18180118 0.93 CNR2 (0.55) FPR2PYGLKDM1AMAOAKMT2A
SCHEMBL18180129 0.92 POLB (0.55) FPR2PYGLKDM1AMAOAKMT2A
SCHEMBL19969244 0.92 CNR2 (0.51) FPR2PYGLKDM1AMAOAKMT2A
SCHEMBL18180106 0.92 POLB (0.55) FPR2PYGLKDM1AMAOAKMT2A
SCHEMBL18180121 0.92 POLB (0.58) FPR2PYGLKDM1AMAOAKMT2A
SCHEMBL18180100 0.92 POLB (0.58) FPR2PYGLKDM1AMAOAKMT2A
SCHEMBL18180102 0.92 PYGL (0.49) FPR2PYGLKDM1AMAOAKMT2A

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 FPR2 4717/4885PYGL 498/4885KDM1A 3466/4885

“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.