SCHEMBL1769583

SCHEMBL1769583

Nc1nc(CC(=O)NCCC(N)C(=O)O)cs1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA5 P31644 1/20 0.54
GABRB2 P47870 1/20 0.54
HSD17B10 Q99714 1/20 0.54
ADRB3 P13945 3/20 0.43
SMN1; SMN2 Q16637 3/20 0.40
ALDH1A1 P00352 2/20 0.39
SHMT1 P34896 1/20 0.39
KDM4E B2RXH2 1/20 0.39
MAPT P10636 2/20 0.38
GAA P10253 2/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
ADRB2 P07550 1/20 0.38
ADRB1 P08588 1/20 0.38
CYP2D6 P10635 1/20 0.37
SLC6A4 P31645 1/20 0.37
KCNH2 Q12809 1/20 0.37
CACNA1C Q13936 1/20 0.37
SCN5A Q14524 1/20 0.37
FNTA P49354 1/20 0.36

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
SCHEMBL1769580 1.00 GABRA5 (0.54) GABRA5GABRB2HSD17B10ADRB3SMN1; SMN2
SCHEMBL2235871 0.92 GABRA5 (0.51) GABRA5GABRB2HSD17B10ADRB3SMN1; SMN2
SCHEMBL2235857 0.92 GABRA5 (0.51) GABRA5GABRB2HSD17B10ADRB3SMN1; SMN2
SCHEMBL1769711 0.86 GABRA5 (0.56) GABRA5GABRB2HSD17B10ADRB3SMN1; SMN2
SCHEMBL1769716 0.86 GABRA5 (0.56) GABRA5GABRB2HSD17B10ADRB3SMN1; SMN2
SCHEMBL31370510 0.79 GABRA5 (0.56) GABRA5GABRB2HSD17B10SMN1; SMN2ALDH1A1
SCHEMBL2236634 0.78 HIF1A (0.41) GABRA5GABRB2HSD17B10ALDH1A1MAPT
SCHEMBL2236649 0.78 HIF1A (0.41) GABRA5GABRB2HSD17B10ALDH1A1MAPT
SCHEMBL3148233 0.76 NOS1 (0.58) GABRA5GABRB2HSD17B10ADRB3SMN1; SMN2
SCHEMBL9198804 0.76 GABRA5 (0.53) GABRA5GABRB2HSD17B10SMN1; SMN2

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
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
WO-2011095607-A1 TEMPLATE-FIXED PEPTIDOMIMETICS WITH CXCR7 MODULATING ACTIVITY POLYPHOR AG (CH) 2011-08-11 WO disclosed
WO-2011060832-A1 TEMPLATE-FIXED PEPTIDOMIMETICS WITH CCR10 ANTAGONISTIC ACTIVITY 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 GABRA5 1328/4885GABRB2 1782/4885HSD17B10 2737/4885
US-20150307556-A1 TEMPLATE-FIXED PEPTIDOMIMETICS WITH CXCR7 MODULATING ACTIVITY CXCR1, CXCL12, CXCR6 GABRA5 3085/4885GABRB2 2452/4885HSD17B10 3748/4885
US-20130225506-A1 TEMPLATE-FIXED PEPTIDOMIMETICS WITH CXCR7 MODULATING ACTIVITY CXCR1, CXCL12, CXCR6 GABRA5 2996/4885GABRB2 2403/4885HSD17B10 3813/4885

“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.