SCHEMBL19962011

SCHEMBL19962011

CN(C(=O)[C@H](Cc1ccccc1)NC(=O)NS(=O)(=O)N[C@@H](Cc1ccccc1)C(=O)N(C)c1ccc2scnc2c1)c1ccc2sccc2c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PYGL P06737 2/20 0.39
MMP3 P08254 2/20 0.34
KDR P35968 1/20 0.34
KDM1A O60341 1/20 0.34
MAOA P21397 1/20 0.34
PDE10A Q9Y233 2/20 0.33
ADRB3 P13945 1/20 0.33
PER2 O15055 1/20 0.33
CRY1 Q16526 1/20 0.33
CRY2 Q49AN0 1/20 0.33
SLC6A2 P23975 1/20 0.33
SLC6A4 P31645 1/20 0.33
SLC6A3 Q01959 1/20 0.33
CA12 O43570 1/20 0.33
CA2 P00918 1/20 0.33
CA7 P43166 1/20 0.33
CA9 Q16790 1/20 0.33
CA14 Q9ULX7 1/20 0.33
MMP9 P14780 1/20 0.32
MMP8 P22894 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
SCHEMBL19969227 0.94 MMP3 (0.37) PYGLMMP3KDRKDM1AMAOA
SCHEMBL18179970 0.94 MMP3 (0.37) PYGLMMP3KDRKDM1AMAOA
SCHEMBL19962010 0.91
SCHEMBL19962039 0.88 PYGL (0.41) PYGLKDRKDM1AMAOAPDE10A
SCHEMBL18179985 0.88 FPR2 (0.40) PYGLKDM1AMAOAPDE10ACA12
SCHEMBL19969348 0.88 FPR2 (0.40) PYGLKDM1AMAOAPDE10ACA12
SCHEMBL19962077 0.86 FPR2 (0.41) PYGLKDM1AMAOACA12CA2
SCHEMBL19962009 0.84 PYGL (0.45) PYGLALDH1A1
SCHEMBL18180271 0.84 SYK (0.31) PDE10A
SCHEMBL19969198 0.84 SYK (0.31) PDE10A

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 498/4885MMP3 3931/4885KDR 4134/4885

“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.