SCHEMBL1769508

SCHEMBL1769508

NC(CNC(=O)C1CC1)C(=O)O

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 1/20 0.50
ITGA2B P08514 1/20 0.50
KMT2A Q03164 2/20 0.42
GFPT1 Q06210 1/20 0.42
TLR2 O60603 2/20 0.38
PSMB5 P28074 1/20 0.37
EPHX1 P07099 1/20 0.37
MTNR1A P48039 3/20 0.37
MTNR1B P49286 3/20 0.37
PTGS1 P23219 1/20 0.37
SLC7A11 Q9UPY5 1/20 0.37
GGT1 P19440 2/20 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
SCHEMBL1769506 1.00 ITGB3 (0.50) ITGB3ITGA2BKMT2AGFPT1TLR2
SCHEMBL25406446 0.91 EPHX1 (0.50) ITGB3ITGA2BGFPT1PSMB5EPHX1
SCHEMBL25406448 0.91 EPHX1 (0.50) ITGB3ITGA2BGFPT1PSMB5EPHX1
SCHEMBL25354268 0.82 ITGB3 (0.47) ITGB3ITGA2BKMT2A
SCHEMBL25354278 0.82 ITGB3 (0.47) ITGB3ITGA2BKMT2A
SCHEMBL26009590 0.82 ITGB3 (0.47) ITGB3ITGA2BKMT2A
SCHEMBL2237248 0.81 HSD17B10 (0.42) ITGB3ITGA2BKMT2AGGT1
SCHEMBL2237255 0.81 HSD17B10 (0.42) ITGB3ITGA2BKMT2AGGT1
SCHEMBL26008158 0.80 ITGB3 (0.46) ITGB3ITGA2BKMT2AGFPT1
SCHEMBL2238416 0.78 OTC (0.51) ITGB3ITGA2B

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-9637520-B2 Template-fixed peptidomimetics with CXCR7 modulating activity POLYPHOR AG (CH) 2017-05-02 US disclosed
EP-2531520-B1 TEMPLATE-FIXED PEPTIDOMIMETICS WITH CXCR7 MODULATING ACTIVITY POLYPHOR AG (CH) 2016-05-11 EP disclosed
US-20150307556-A1 TEMPLATE-FIXED PEPTIDOMIMETICS WITH CXCR7 MODULATING ACTIVITY POLYPHOR AG (CH) 2015-10-29 US disclosed
US-9109009-B2 Template-fixed peptidomimetics with CXCR7 modulating activity POLYPHOR AG (CH) 2015-08-18 US disclosed
US-8754038-B2 Template-fixed peptidomimetics with CCR10 antagonistic activity POLYPHOR AG (CH) 2014-06-17 US disclosed
US-20130225506-A1 TEMPLATE-FIXED PEPTIDOMIMETICS WITH CXCR7 MODULATING ACTIVITY POLYPHOR AG (CH) 2013-08-29 US disclosed
US-20120283168-A1 TEMPLATE-FIXED PEPTIDOMIMETICS WITH CCR10 ANTAGONISTIC ACTIVITY POLYPHOR AG (CH) 2012-11-08 US disclosed
WO-2011060832-A1 TEMPLATE-FIXED PEPTIDOMIMETICS WITH CCR10 ANTAGONISTIC ACTIVITY POLYPHOR AG (CH) 2011-05-26 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 (3 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-20120283168-A1 TEMPLATE-FIXED PEPTIDOMIMETICS WITH CCR10 ANTAGONISTIC ACTIVITY CCR10, CCR1, CCRL2 ITGB3 3255/4885ITGA2B 2174/4885KMT2A 3431/4885
US-20150307556-A1 TEMPLATE-FIXED PEPTIDOMIMETICS WITH CXCR7 MODULATING ACTIVITY CXCR1, CXCL12, CXCR6 ITGB3 2339/4885ITGA2B 1867/4885KMT2A 4208/4885
US-20130225506-A1 TEMPLATE-FIXED PEPTIDOMIMETICS WITH CXCR7 MODULATING ACTIVITY CXCR1, CXCL12, CXCR6 ITGB3 2108/4885ITGA2B 1709/4885KMT2A 4121/4885

“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.