SCHEMBL2236045

SCHEMBL2236045

NC(CCCNC(=O)c1cccs1)C(=O)O

nearest known ligand 0.68

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.68
NPC1 O15118 7/20 0.60
CYP1A2 P05177 1/20 0.60
CYP2C9 P11712 1/20 0.60
CYP2C19 P33261 1/20 0.60
GAA P10253 2/20 0.58
SMN1; SMN2 Q16637 6/20 0.56
GLA P06280 2/20 0.56
RAB9A P51151 7/20 0.56
DRD2 P14416 2/20 0.52
DRD3 P35462 2/20 0.52
ALDH1A1 P00352 1/20 0.51
PKM P14618 1/20 0.51
HDAC3 O15379 1/20 0.49
HDAC1 Q13547 1/20 0.49
L3MBTL1 Q9Y468 2/20 0.49
TSHR P16473 1/20 0.49
HTT P42858 1/20 0.49
MAPT P10636 1/20 0.49

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
SCHEMBL2236034 1.00 KDM4E (0.68) KDM4ENPC1CYP1A2CYP2C9CYP2C19
SCHEMBL2237288 0.92 KDM4E (0.62) KDM4ENPC1CYP1A2CYP2C9CYP2C19
SCHEMBL1768411 0.92 KDM4E (0.62) KDM4ENPC1CYP1A2CYP2C9CYP2C19
SCHEMBL3868049 0.82 NPC1 (0.62) KDM4ENPC1CYP1A2CYP2C9CYP2C19
SCHEMBL2237704 0.82 NPC1 (0.62) KDM4ENPC1CYP1A2CYP2C9CYP2C19
SCHEMBL6127192 0.80 KDM4E (0.89) KDM4ENPC1CYP1A2CYP2C9CYP2C19
SCHEMBL12181187 0.79 KDM4E (0.81) KDM4ENPC1CYP1A2CYP2C9CYP2C19
SCHEMBL2237828 0.78 EPHX2 (0.57) KDM4ENPC1GAASMN1; SMN2RAB9A
SCHEMBL8144689 0.78 KDM4E (0.78) KDM4ENPC1CYP1A2CYP2C9CYP2C19
SCHEMBL2237833 0.78 EPHX2 (0.57) KDM4ENPC1GAASMN1; SMN2RAB9A

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 KDM4E 4660/4885NPC1 1872/4885CYP1A2 4787/4885
US-20130225506-A1 TEMPLATE-FIXED PEPTIDOMIMETICS WITH CXCR7 MODULATING ACTIVITY CXCR1, CXCL12, CXCR6 KDM4E 4606/4885NPC1 1687/4885CYP1A2 4746/4885

“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.