SCHEMBL63766

SCHEMBL63766

CCOC(=O)/C=C(/ONC(=N)[C@@]1(NC(=O)OCc2ccccc2)CC[C@@H](CO)OC1)C(=O)OCC

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CTSS P25774 5/20 0.35
CTSL P07711 4/20 0.35
CTSB P07858 3/20 0.35
RORC P51449 2/20 0.35
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
TLR2 O60603 2/20 0.34
CTSK P43235 4/20 0.33
F2 P00734 1/20 0.33
PRSS1 P07477 1/20 0.33
CPB1 P15086 1/20 0.33
CYP1A2 P05177 1/20 0.32
BTK Q06187 1/20 0.32
TSHR P16473 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
SCHEMBL13691437 1.00 CTSS (0.35) CTSSCTSLCTSBRORCNPC1
SCHEMBL62654 1.00 CTSS (0.35) CTSSCTSLCTSBRORCNPC1
SCHEMBL51559 0.88 CTSS (0.38) CTSSCTSLCTSBRORCNPC1
SCHEMBL13657353 0.86 RORC (0.38) CTSSCTSLCTSBRORCTLR2
SCHEMBL87193 0.84 CTSS (0.40) CTSSCTSLCTSBRORCNPC1
SCHEMBL13691697 0.84 CTSS (0.37) CTSSCTSLCTSBRORCTLR2
SCHEMBL63524 0.84 CTSS (0.37) CTSSCTSLCTSBRORCTLR2
SCHEMBL13657354 0.83 RORC (0.37) CTSSCTSLCTSBRORCTLR2
SCHEMBL9942885 0.81 CTSS (0.38) CTSSCTSLCTSBRORCNPC1
SCHEMBL2081430 0.80 F13A1 (0.44) CTSSCTSLCTSBNPC1RAB9A

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-8129398-B2 HIV integrase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2012-03-06 US disclosed
US-20090253677-A1 HIV Integrase Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2009-10-08 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-20090253677-A1 HIV Integrase Inhibitors DNTT, POLB, UNG CTSS 3030/4885CTSL 3453/4885CTSB 2999/4885

“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.