SCHEMBL1768634

SCHEMBL1768634

N[C@@H](CNC(=O)Cc1cccnc1)C(=O)O

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 3/20 0.60
CYP1A2 P05177 2/20 0.60
CYP2C9 P11712 2/20 0.60
EPHX2 P34913 1/20 0.59
NAPRT Q6XQN6 1/20 0.54
LMNA P02545 2/20 0.53
ERCC1 P07992 1/20 0.52
ERCC4 Q92889 1/20 0.52
GAA P10253 2/20 0.51
RECQL P46063 1/20 0.49
HPGD P15428 1/20 0.48
HTT P42858 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
KDM4E B2RXH2 1/20 0.48
MAPK8 P45983 1/20 0.47
CYP2C19 P33261 1/20 0.47
MAPT P10636 2/20 0.46
HCRTR2 O43614 1/20 0.45
SIGMAR1 Q99720 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45

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
SCHEMBL1768640 1.00 CYP3A4 (0.60) CYP3A4CYP1A2CYP2C9EPHX2NAPRT
SCHEMBL2238031 0.86 EPHX2 (0.70) CYP3A4CYP1A2CYP2C9EPHX2NAPRT
SCHEMBL1768899 0.86 EPHX2 (0.70) CYP3A4CYP1A2CYP2C9EPHX2NAPRT
SCHEMBL25564146 0.85 CYP1A2 (0.56) CYP3A4CYP1A2CYP2C9EPHX2NAPRT
SCHEMBL2234915 0.84 EPHX2 (0.64) CYP3A4CYP1A2CYP2C9EPHX2NAPRT
SCHEMBL2234907 0.84 EPHX2 (0.64) CYP3A4CYP1A2CYP2C9EPHX2NAPRT
SCHEMBL24322586 0.84 ALPI (0.55) EPHX2LMNAGAAHPGDMAPT
SCHEMBL2310634 0.84 ALPI (0.55) EPHX2LMNAGAAHPGDMAPT
SCHEMBL5080196 0.84 ALPI (0.55) EPHX2LMNAGAAHPGDMAPT
SCHEMBL31268378 0.83 EPHX2 (0.62) CYP3A4CYP1A2CYP2C9EPHX2NAPRT

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
US-20120283168-A1 TEMPLATE-FIXED PEPTIDOMIMETICS WITH CCR10 ANTAGONISTIC ACTIVITY POLYPHOR AG (CH) 2012-11-08 US disclosed
EP-2501715-A1 TEMPLATE-FIXED PEPTIDOMIMETICS WITH CCR10 ANTAGONISTIC ACTIVTY Polyphor Ag (CH) 2012-09-26 EP disclosed
WO-2011060832-A1 TEMPLATE-FIXED PEPTIDOMIMETICS WITH CCR10 ANTAGONISTIC ACTIVITY POLYPHOR AG (CH) 2011-05-26 WO disclosed
WO-2011060937-A1 TEMPLATE-FIXED PEPTIDOMIMETICS WITH CCR10 ANTAGONISTIC ACTIVTY 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 CYP3A4 4212/4885CYP1A2 4368/4885CYP2C9 3612/4885
US-20150307556-A1 TEMPLATE-FIXED PEPTIDOMIMETICS WITH CXCR7 MODULATING ACTIVITY CXCR1, CXCL12, CXCR6 CYP3A4 4803/4885CYP1A2 4787/4885CYP2C9 4406/4885
US-20130225506-A1 TEMPLATE-FIXED PEPTIDOMIMETICS WITH CXCR7 MODULATING ACTIVITY CXCR1, CXCL12, CXCR6 CYP3A4 4769/4885CYP1A2 4746/4885CYP2C9 4329/4885

“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.