SCHEMBL1768411

SCHEMBL1768411

NC(CCNC(=O)c1cccs1)C(=O)O

nearest known ligand 0.68

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.62
RAB9A P51151 7/20 0.58
NPC1 O15118 7/20 0.58
SMN1; SMN2 Q16637 6/20 0.58
ALDH1A1 P00352 1/20 0.56
PKM P14618 1/20 0.56
CYP1A2 P05177 1/20 0.56
CYP2C9 P11712 1/20 0.56
CYP2C19 P33261 1/20 0.56
GAA P10253 2/20 0.54
GLA P06280 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.51
MAPT P10636 1/20 0.51
TSHR P16473 2/20 0.50
HPGD P15428 1/20 0.49
HDAC1 Q13547 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
SCHEMBL2237288 1.00 KDM4E (0.62) KDM4ERAB9ANPC1SMN1; SMN2ALDH1A1
SCHEMBL2236045 0.92 KDM4E (0.68) KDM4ERAB9ANPC1SMN1; SMN2ALDH1A1
SCHEMBL2236034 0.92 KDM4E (0.68) KDM4ERAB9ANPC1SMN1; SMN2ALDH1A1
SCHEMBL2237704 0.85 NPC1 (0.62) KDM4ERAB9ANPC1SMN1; SMN2ALDH1A1
SCHEMBL3868049 0.85 NPC1 (0.62) KDM4ERAB9ANPC1SMN1; SMN2ALDH1A1
SCHEMBL31469598 0.80 KDM4E (0.68) KDM4ERAB9ANPC1SMN1; SMN2ALDH1A1
SCHEMBL1905615 0.78 KDM4E (0.74) KDM4ERAB9ANPC1SMN1; SMN2CYP1A2
SCHEMBL12491240 0.76 KDM4E (0.72) KDM4ERAB9ANPC1SMN1; SMN2ALDH1A1
SCHEMBL2237718 0.76 EPHX2 (0.65) RAB9ANPC1SMN1; SMN2CYP2C9CYP2C19
SCHEMBL2237728 0.76 EPHX2 (0.65) RAB9ANPC1SMN1; SMN2CYP2C9CYP2C19

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 11 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
EP-2531520-A1 TEMPLATE-FIXED PEPTIDOMIMETICS WITH CXCR7 MODULATING ACTIVITY Polyphor AG (CH) 2012-12-12 EP 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-2011095607-A1 TEMPLATE-FIXED PEPTIDOMIMETICS WITH CXCR7 MODULATING ACTIVITY POLYPHOR AG (CH) 2011-08-11 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 KDM4E 4722/4885RAB9A 2766/4885NPC1 4012/4885
US-20150307556-A1 TEMPLATE-FIXED PEPTIDOMIMETICS WITH CXCR7 MODULATING ACTIVITY CXCR1, CXCL12, CXCR6 KDM4E 4660/4885RAB9A 1588/4885NPC1 1872/4885
US-20130225506-A1 TEMPLATE-FIXED PEPTIDOMIMETICS WITH CXCR7 MODULATING ACTIVITY CXCR1, CXCL12, CXCR6 KDM4E 4606/4885RAB9A 1674/4885NPC1 1687/4885

“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.