SCHEMBL10160976

SCHEMBL10160976

C=C(C)OP(=O)(O)OC(C)(C)C

nearest known ligand 0.33

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
PEPD P12955 1/20 0.33
BTN3A1 O00481 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
SCHEMBL21764582 0.79 LMNA (0.31)
SCHEMBL243552 0.77 LMNA (0.40)
SCHEMBL553541 0.75 LMNA (0.38)
SCHEMBL695544 0.75 LMNA (0.38)
SCHEMBL555010 0.75 LMNA (0.38)
SCHEMBL21815536 0.73 LMNA (0.33)
SCHEMBL571123 0.72 LMNA (0.36)
Methylamine SCHEMBL17749558 0.72 FDPS (0.41)
SCHEMBL31405507 0.71 HSD17B10 (0.42) PEPDBTN3A1
SCHEMBL27728715 0.71 BTN3A1 (0.50) PEPDBTN3A1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8168615-B2 Prodrugs of piperazine and substituted piperidine antiviral agents BRISTOL-MYERS SQUIBB COMPANY (US) 2012-05-01 US disclosed
EP-1877403-B1 MONO-LYSINE SALTS OF AZOLE COMPOUNDS EISAI R&D MAN CO LTD (JP) 2011-03-30 EP disclosed
US-20100210599-A1 PRODRUGS OF PIPERAZINE AND SUBSTITUTED PIPERIDINE ANTIVIRAL AGENTS BRISTOL-MYERS SQUIBB COMPANY 2010-08-19 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-20100210599-A1 PRODRUGS OF PIPERAZINE AND SUBSTITUTED PIPERIDINE ANTIVIRAL AGENTS ZC3HAV1L, CCR5, CCRL2 PEPD 204/4885BTN3A1 3812/4885

“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.