SCHEMBL2237728

SCHEMBL2237728

NC(CCNC(=O)c1ccccc1)C(=O)O

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 3/20 0.65
NPC1 O15118 6/20 0.54
RAB9A P51151 6/20 0.54
SMN1; SMN2 Q16637 5/20 0.54
GAA P10253 1/20 0.53
LMNA P02545 2/20 0.53
POLB P06746 1/20 0.53
PRSS1 P07477 1/20 0.51
CTSG P08311 1/20 0.51
CTRB1 P17538 1/20 0.51
CMA1 P23946 1/20 0.51
HPGD P15428 2/20 0.50
RECQL P46063 1/20 0.50
NAAA Q02083 1/20 0.50
HDAC3 O15379 1/20 0.50
HDAC4 P56524 1/20 0.50
HDAC1 Q13547 1/20 0.50
HDAC7 Q8WUI4 1/20 0.50
HDAC2 Q92769 1/20 0.50
HDAC10 Q969S8 1/20 0.50

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
SCHEMBL2237718 1.00 EPHX2 (0.65) EPHX2NPC1RAB9ASMN1; SMN2GAA
SCHEMBL2237828 0.90 EPHX2 (0.57) EPHX2NPC1RAB9ASMN1; SMN2GAA
SCHEMBL2237833 0.90 EPHX2 (0.57) EPHX2NPC1RAB9ASMN1; SMN2GAA
SCHEMBL24130547 0.89 HDAC1 (0.58) EPHX2NPC1RAB9ASMN1; SMN2POLB
SCHEMBL345305 0.89 HDAC1 (0.58) EPHX2NPC1RAB9ASMN1; SMN2POLB
SCHEMBL1242961 0.89 HDAC1 (0.58) EPHX2NPC1RAB9ASMN1; SMN2POLB
SCHEMBL1769566 0.85 EPHX2 (0.64) EPHX2RAB9ASMN1; SMN2NAAAHDAC2
SCHEMBL1769567 0.85 EPHX2 (0.64) EPHX2RAB9ASMN1; SMN2NAAAHDAC2
SCHEMBL8192638 0.84 HDAC3 (0.52) EPHX2NPC1RAB9ALMNAPOLB
SCHEMBL1769371 0.84 EPHX2 (0.69) EPHX2NPC1RAB9ASMN1; SMN2CYP2C9

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
CN-102844327-B Template-fixed peptidomimetics with CXCR7 modulatory activity 波利弗尔股份公司 2016-10-26 CN 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
CN-102844327-A Template-fixed peptidomimetics with CXCR7 modulatory activity POLYPHOR AG 2012-12-26 CN 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

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 1468/4885NPC1 4012/4885RAB9A 2766/4885
US-20150307556-A1 TEMPLATE-FIXED PEPTIDOMIMETICS WITH CXCR7 MODULATING ACTIVITY CXCR1, CXCL12, CXCR6 EPHX2 2685/4885NPC1 1872/4885RAB9A 1588/4885
US-20130225506-A1 TEMPLATE-FIXED PEPTIDOMIMETICS WITH CXCR7 MODULATING ACTIVITY CXCR1, CXCL12, CXCR6 EPHX2 2738/4885NPC1 1687/4885RAB9A 1674/4885

“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.