SCHEMBL954489

SCHEMBL954489

O=C(N[C@@H](CCCCOCc1ccccc1)C(=O)O)OCC1c2ccccc2-c2ccccc21

nearest known ligand 0.57

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TLR2 O60603 4/20 0.57
HDAC1 Q13547 1/20 0.54
HDAC2 Q92769 1/20 0.54
MDM2 Q00987 5/20 0.52
MDM4 O15151 1/20 0.51
TP53 P04637 1/20 0.51
TNF P01375 3/20 0.51

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
SCHEMBL954490 1.00 TLR2 (0.57) TLR2HDAC1HDAC2MDM2MDM4
SCHEMBL14198731 0.97 TLR2 (0.56) TLR2HDAC1HDAC2MDM2MDM4
SCHEMBL29401900 0.88 TNF (0.59) TLR2HDAC1HDAC2MDM4TP53
SCHEMBL30861891 0.88 TNF (0.59) TLR2HDAC1HDAC2MDM4TP53
SCHEMBL29398946 0.88 TNF (0.59) TLR2HDAC1HDAC2MDM4TP53
SCHEMBL3366333 0.88 TNF (0.59) TLR2HDAC1HDAC2MDM4TP53
SCHEMBL120685 0.88 TNF (0.59) TLR2HDAC1HDAC2MDM4TP53
SCHEMBL31186620 0.88 TNF (0.59) TLR2HDAC1HDAC2MDM4TP53
SCHEMBL2589116 0.88 TNF (0.59) TLR2HDAC1HDAC2MDM4TP53
SCHEMBL8892538 0.88 MDM2 (0.60) TLR2HDAC1HDAC2MDM2MDM4

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-8426420-B2 Heterocyclic pyrazole-carboxamidesas P2Y12 antagonists SANOFI (FR) 2013-04-23 US disclosed
EP-2238128-B1 HETEROCYCLIC PYRAZOLE-CARBOXAMIDES AS P2Y12 ANTAGONISTS SANOFI SA (FR) 2012-08-22 EP disclosed
US-20110021537-A1 HETEROCYCLIC PYRAZOLE-CARBOXAMIDESAS P2Y12 ANTAGONISTS SANOFI-AVENTIS (FR) 2011-01-27 US disclosed
EP-2238128-A2 HETEROCYCLIC PYRAZOLE-CARBOXAMIDES AS P2Y12 ANTAGONISTS Sanofi-Aventis (FR) 2010-10-13 EP disclosed
WO-2009080226-A2 HETEROCYCLIC PYRAZOLE-CARBOXAMIDES AS P2Y12 ANTAGONISTS SANOFIS-AVENTIS (FR) 2009-07-02 WO disclosed
EP-1504094-A2 PEPTIDE COMPOUNDS AND THEIR USE AS PROTEASE SUBSTRATES Pharmacia Corporation (US) 2005-02-09 EP disclosed
US-20040018561-A1 Peptide compounds and their use as protease substrates PHARMACIA CORPORATION 2004-01-29 US disclosed
WO-2003095475-A2 PEPTIDE COMPOUNDS AND THEIR USE AS PROTEASE SUBSTRATES PHARMACIA CORPORATION (US) 2003-11-20 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-20040018561-A1 Peptide compounds and their use as protease substrates MMP3, MMP25, MMP11 TLR2 4620/4885HDAC1 1031/4885HDAC2 2428/4885
US-20110021537-A1 HETEROCYCLIC PYRAZOLE-CARBOXAMIDESAS P2Y12 ANTAGONISTS P2RY1, P2RY12, P2RY11 TLR2 1355/4885HDAC1 2583/4885HDAC2 2509/4885

“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.