SCHEMBL13657353

SCHEMBL13657353

CCOC(=O)C=C(ONC(=N)C1(NC(=O)OCc2ccccc2)CCC(CO)C1)C(=O)OCC

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RORC P51449 2/20 0.38
CTSS P25774 5/20 0.37
CTSL P07711 5/20 0.37
CTSB P07858 3/20 0.37
TLR2 O60603 2/20 0.35
CTSK P43235 4/20 0.34
CPB1 P15086 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C9 P11712 1/20 0.34
MAPK1 P28482 1/20 0.34
CYP2C19 P33261 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
F2 P00734 1/20 0.33
PRSS1 P07477 1/20 0.33
TSHR P16473 1/20 0.33
L3MBTL1 Q9Y468 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
SCHEMBL51559 0.95 CTSS (0.38) RORCCTSSCTSLCTSBTLR2
SCHEMBL13657354 0.94 RORC (0.37) RORCCTSSCTSLCTSBTLR2
SCHEMBL63524 0.89 CTSS (0.37) RORCCTSSCTSLCTSBTLR2
SCHEMBL13691697 0.89 CTSS (0.37) RORCCTSSCTSLCTSBTLR2
SCHEMBL87498 0.86 CTSS (0.39) RORCCTSSCTSLCTSBTLR2
SCHEMBL62654 0.86 CTSS (0.35) RORCCTSSCTSLCTSBTLR2
SCHEMBL63766 0.86 CTSS (0.35) RORCCTSSCTSLCTSBTLR2
SCHEMBL13691437 0.86 CTSS (0.35) RORCCTSSCTSLCTSBTLR2
SCHEMBL9942885 0.83 CTSS (0.38) RORCCTSSCTSLCTSBTLR2
SCHEMBL2081430 0.82 F13A1 (0.44) CTSSCTSLCTSBCYP1A2CYP2C9

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-20090253677-A1 HIV Integrase Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2009-10-08 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 RORC 1817/4885CTSS 3030/4885CTSL 3453/4885

“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.