SCHEMBL1769376

SCHEMBL1769376

NC(CCNC(=O)c1cccnc1)C(=O)O

nearest known ligand 0.69

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 5/20 0.69
CYP2C9 P11712 3/20 0.69
CYP2C19 P33261 3/20 0.69
MEN1 O00255 4/20 0.60
KMT2A Q03164 4/20 0.60
SMN1; SMN2 Q16637 3/20 0.60
RAB9A P51151 3/20 0.60
NPC1 O15118 2/20 0.60
THRB P10828 1/20 0.57
ALDH1A1 P00352 2/20 0.56
CYP3A4 P08684 2/20 0.54
CYP1A2 P05177 1/20 0.54
MAPT P10636 2/20 0.53
ALOX15 P16050 1/20 0.52
HSD17B10 Q99714 1/20 0.52
PKM P14618 1/20 0.52
USP2 O75604 1/20 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
SCHEMBL1769371 1.00 EPHX2 (0.69) EPHX2CYP2C9CYP2C19MEN1KMT2A
SCHEMBL2238920 0.92 EPHX2 (0.70) EPHX2CYP2C9CYP2C19MEN1KMT2A
SCHEMBL2238928 0.92 EPHX2 (0.70) EPHX2CYP2C9CYP2C19MEN1KMT2A
SCHEMBL9068117 0.91 EPHX2 (0.65) EPHX2CYP2C9CYP2C19MEN1KMT2A
SCHEMBL30658134 0.91 EPHX2 (0.65) EPHX2CYP2C9CYP2C19MEN1KMT2A
SCHEMBL2235416 0.91 EPHX2 (0.65) EPHX2CYP2C9CYP2C19MEN1KMT2A
SCHEMBL458071 0.91 EPHX2 (0.65) EPHX2CYP2C9CYP2C19MEN1KMT2A
Hydrochloric Acid SCHEMBL30406514 0.90 EPHX2 (0.64) EPHX2CYP2C9CYP2C19MEN1KMT2A
SCHEMBL1769568 0.86 MEN1 (0.62) EPHX2CYP2C9CYP2C19MEN1KMT2A
SCHEMBL1769571 0.86 MEN1 (0.62) EPHX2CYP2C9CYP2C19MEN1KMT2A

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 10 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
EP-2531520-A1 TEMPLATE-FIXED PEPTIDOMIMETICS WITH CXCR7 MODULATING ACTIVITY Polyphor AG (CH) 2012-12-12 EP disclosed
US-20120283168-A1 TEMPLATE-FIXED PEPTIDOMIMETICS WITH CCR10 ANTAGONISTIC ACTIVITY POLYPHOR AG (CH) 2012-11-08 US disclosed
WO-2011095607-A1 TEMPLATE-FIXED PEPTIDOMIMETICS WITH CXCR7 MODULATING ACTIVITY POLYPHOR AG (CH) 2011-08-11 WO 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 EPHX2 1468/4885CYP2C9 3612/4885CYP2C19 3808/4885
US-20150307556-A1 TEMPLATE-FIXED PEPTIDOMIMETICS WITH CXCR7 MODULATING ACTIVITY CXCR1, CXCL12, CXCR6 EPHX2 2685/4885CYP2C9 4406/4885CYP2C19 4091/4885
US-20130225506-A1 TEMPLATE-FIXED PEPTIDOMIMETICS WITH CXCR7 MODULATING ACTIVITY CXCR1, CXCL12, CXCR6 EPHX2 2738/4885CYP2C9 4329/4885CYP2C19 4007/4885

“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.