SCHEMBL87300

SCHEMBL87300

CCOC(=O)/C=C(\ONC(=N)C1(NC(=O)OCc2ccccc2)CCC(CO)CC1)C1OC(C)O1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSS P25774 5/20 0.35
CTSL P07711 5/20 0.35
CTSB P07858 3/20 0.35
RORC P51449 1/20 0.35
TLR2 O60603 2/20 0.34
CTSK P43235 4/20 0.33
F2 P00734 1/20 0.32
PRSS1 P07477 1/20 0.32
TSHR P16473 1/20 0.32
CPB1 P15086 1/20 0.31
ALDH1A1 P00352 2/20 0.31
GAA P10253 2/20 0.31
KDM4E B2RXH2 1/20 0.31
LMNA P02545 1/20 0.31
HSP90AA1 P07900 1/20 0.31
HSP90AB1 P08238 1/20 0.31
MAPT P10636 1/20 0.31
APEX1 P27695 1/20 0.31
RECQL P46063 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31

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
SCHEMBL13691498 0.92 CTSS (0.37) CTSSCTSLCTSBRORCTLR2
SCHEMBL51559 0.85 CTSS (0.38) CTSSCTSLCTSBRORCTLR2
SCHEMBL13657353 0.80 RORC (0.38) CTSSCTSLCTSBRORCTLR2
SCHEMBL63524 0.78 CTSS (0.37) CTSSCTSLCTSBRORCTLR2
SCHEMBL13691697 0.78 CTSS (0.37) CTSSCTSLCTSBRORCTLR2
SCHEMBL1117844 0.77 CTSS (0.39) CTSSCTSLCTSBRORCTLR2
SCHEMBL1117846 0.77 CTSS (0.39) CTSSCTSLCTSBRORCTLR2
SCHEMBL13657354 0.76 RORC (0.37) CTSSCTSLCTSBRORCTLR2
SCHEMBL62654 0.75 CTSS (0.35) CTSSCTSLCTSBRORCTLR2
SCHEMBL13691437 0.75 CTSS (0.35) CTSSCTSLCTSBRORCTLR2

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.