SCHEMBL6791884

SCHEMBL6791884

O=C(O)[C@@H](C/C=C/C1CCCCC1)Cc1ccc(F)cc1

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CPA1 P15085 1/20 0.43
BCL2L1 Q07817 1/20 0.42
MCL1 Q07820 1/20 0.42
GRIK1 P39086 1/20 0.40
GRIK2 Q13002 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.39
RAB9A P51151 2/20 0.39
POLB P06746 1/20 0.39
PPARG P37231 1/20 0.38
PPARA Q07869 1/20 0.38
MME P08473 3/20 0.38
CYP1A2 P05177 1/20 0.37
TAAR1 Q96RJ0 1/20 0.36
ACE P12821 1/20 0.36
AGER Q15109 1/20 0.36

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
SCHEMBL5963814 0.77 GRIK1 (0.44) CPA1GRIK1GRIK2PPARGPPARA
SCHEMBL7384829 0.73 CYP1A2 (0.65) CPA1PPARGPPARAMMECYP1A2
SCHEMBL12493679 0.70 CYP1A2 (0.55) CPA1PPARGPPARAMMECYP1A2
SCHEMBL28181738 0.69 CYP1A2 (0.77) CPA1PPARGPPARAMMECYP1A2
SCHEMBL16798335 0.69 MME (0.57) CPA1PPARGPPARAMMECYP1A2
SCHEMBL7430616 0.68 METAP2 (0.45) CPA1SMN1; SMN2RAB9APOLBPPARG
SCHEMBL7430623 0.68 METAP2 (0.45) CPA1SMN1; SMN2RAB9APOLBPPARG
SCHEMBL5378074 0.68 CYP1A2 (0.57) CPA1PPARGPPARACYP1A2
SCHEMBL31344410 0.68 CYP1A2 (0.52) CPA1PPARGPPARAMMECYP1A2
SCHEMBL21193997 0.68 CYP1A2 (0.52) CPA1PPARGPPARAMMECYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040072907-A1 Antipicornaviral compounds, compositions containing them, and methods for their use PETER DRAGOVICH S (US) 2004-04-15 US disclosed
US-6649639-B2 Inhibit or block the biological activity of the picornaviral 3C protease. DRAGOVICH PETER S (US) 2003-11-18 US disclosed
EP-0975588-B1 ANTIPICORNAVIRAL COMPOUDS, COMPOSITIONS CONTAINING THEM, AND METHODS FOR THEIR USE AGOURON PHARMA (US) 2003-09-03 EP disclosed
US-20020032237-A1 Antipicornaviral compounds, compositions containing them, and methods for their use DRAGOVICH PETER S (US) 2002-03-14 US disclosed
US-6331554-B1 PICORNAVIRUS PROTEASE INHIBITORS AGOURON PHARMACEUTICALS, INC. 2001-12-18 US disclosed
EP-0975588-A1 ANTIPICORNAVIRAL COMPOUDS, COMPOSITIONS CONTAINING THEM, AND METHODS FOR THEIR USE AGOURON PHARMACEUTICALS, INC. (US) 2000-02-02 EP disclosed
US-6020371-A VIRICIDES; PROTEASE INHIBITORS AGOURON PHARMACEUTICALS, INC. (US) 2000-02-01 US disclosed
WO-1998043950-A1 ANTIPICORNAVIRAL COMPOUDS, COMPOSITIONS CONTAINING THEM, AND METHODS FOR THEIR USE AGOURON PHARMACEUTICALS, INC. (US) 1998-10-08 WO 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 (2 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-20020032237-A1 Antipicornaviral compounds, compositions containing them, and methods for their use RNASEL, RNASE1, GTF3C3 CPA1 123/4885BCL2L1 2212/4885MCL1 3114/4885
US-20040072907-A1 Antipicornaviral compounds, compositions containing them, and methods for their use PCNA, ZC3HAV1, POLR1C CPA1 1318/4885BCL2L1 1245/4885MCL1 1260/4885

“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.