SCHEMBL2237828

SCHEMBL2237828

N[C@@H](CCCNC(=O)c1ccccc1)C(=O)O

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 2/20 0.57
NPC1 O15118 1/20 0.57
RAB9A P51151 1/20 0.57
HDAC1 Q13547 5/20 0.55
HDAC2 Q92769 5/20 0.55
HDAC3 O15379 4/20 0.55
HDAC8 Q9BY41 4/20 0.55
HDAC6 Q9UBN7 4/20 0.55
HDAC4 P56524 3/20 0.55
HDAC7 Q8WUI4 3/20 0.55
HDAC10 Q969S8 3/20 0.55
HDAC11 Q96DB2 3/20 0.55
HDAC9 Q9UKV0 3/20 0.55
HDAC5 Q9UQL6 3/20 0.55
NAAA Q02083 1/20 0.55
OTC P00480 1/20 0.53
SMN1; SMN2 Q16637 2/20 0.51
KDM4E B2RXH2 1/20 0.51
ALDH1A1 P00352 1/20 0.51
POLB P06746 2/20 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
SCHEMBL2237833 1.00 EPHX2 (0.57) EPHX2NPC1RAB9AHDAC1HDAC2
SCHEMBL24130547 0.95 HDAC1 (0.58) EPHX2NPC1RAB9AHDAC1HDAC2
SCHEMBL1242961 0.95 HDAC1 (0.58) EPHX2NPC1RAB9AHDAC1HDAC2
SCHEMBL345305 0.95 HDAC1 (0.58) EPHX2NPC1RAB9AHDAC1HDAC2
SCHEMBL2237718 0.90 EPHX2 (0.65) EPHX2NPC1RAB9AHDAC1HDAC2
SCHEMBL2237728 0.90 EPHX2 (0.65) EPHX2NPC1RAB9AHDAC1HDAC2
SCHEMBL8192638 0.90 HDAC3 (0.52) EPHX2NPC1RAB9AHDAC1HDAC2
SCHEMBL8194071 0.87 NPC1 (0.59) NPC1RAB9AHDAC1HDAC2HDAC3
SCHEMBL4928905 0.86 HDAC6 (0.55) EPHX2NPC1RAB9AHDAC1HDAC2
SCHEMBL2239985 0.86 CYP1A2 (0.58) EPHX2NPC1RAB9ANAAAOTC

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-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
WO-2011095607-A1 TEMPLATE-FIXED PEPTIDOMIMETICS WITH CXCR7 MODULATING ACTIVITY POLYPHOR AG (CH) 2011-08-11 WO disclosed
WO-2011095218-A1 TEMPLATE-FIXED PEP TIDOMIME TICS 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 (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-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.