SCHEMBL2238928

SCHEMBL2238928

NC(CCCNC(=O)c1cccnc1)C(=O)O

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 4/20 0.70
CYP2C9 P11712 1/20 0.62
CYP2C19 P33261 1/20 0.62
KMT2A Q03164 4/20 0.58
SMN1; SMN2 Q16637 3/20 0.58
RAB9A P51151 3/20 0.58
MEN1 O00255 3/20 0.58
NPC1 O15118 2/20 0.58
THRB P10828 1/20 0.55
ALDH1A1 P00352 1/20 0.54
KEAP1 Q14145 1/20 0.54
NFE2L2 Q16236 1/20 0.54
HTR1A P08908 1/20 0.54
HTR2A P28223 1/20 0.54
DRD3 P35462 1/20 0.54
TDP1 Q9NUW8 1/20 0.53
CYP1A2 P05177 1/20 0.52
CYP3A4 P08684 1/20 0.52
MAPT P10636 1/20 0.51
NAMPT P43490 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
SCHEMBL2238920 1.00 EPHX2 (0.70) EPHX2CYP2C9CYP2C19KMT2ASMN1; SMN2
SCHEMBL30658134 0.96 EPHX2 (0.65) EPHX2CYP2C9CYP2C19KMT2ASMN1; SMN2
SCHEMBL2235416 0.96 EPHX2 (0.65) EPHX2CYP2C9CYP2C19KMT2ASMN1; SMN2
SCHEMBL9068117 0.96 EPHX2 (0.65) EPHX2CYP2C9CYP2C19KMT2ASMN1; SMN2
SCHEMBL458071 0.96 EPHX2 (0.65) EPHX2CYP2C9CYP2C19KMT2ASMN1; SMN2
Hydrochloric Acid SCHEMBL30406514 0.95 EPHX2 (0.64) EPHX2CYP2C9CYP2C19KMT2ASMN1; SMN2
SCHEMBL1769371 0.92 EPHX2 (0.69) EPHX2CYP2C9CYP2C19KMT2ASMN1; SMN2
SCHEMBL1769376 0.92 EPHX2 (0.69) EPHX2CYP2C9CYP2C19KMT2ASMN1; SMN2
SCHEMBL2237828 0.84 EPHX2 (0.57) EPHX2KMT2ASMN1; SMN2RAB9ANPC1
SCHEMBL2237833 0.84 EPHX2 (0.57) EPHX2KMT2ASMN1; SMN2RAB9ANPC1

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 7 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
EP-2531520-A1 TEMPLATE-FIXED PEPTIDOMIMETICS WITH CXCR7 MODULATING ACTIVITY Polyphor AG (CH) 2012-12-12 EP 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 (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 2685/4885CYP2C9 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.