SCHEMBL1769711

SCHEMBL1769711

Nc1nc(CC(=O)NC[C@H](N)C(=O)O)cs1

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GABRA5 P31644 1/20 0.56
GABRB2 P47870 1/20 0.56
HSD17B10 Q99714 1/20 0.56
ADRB3 P13945 3/20 0.44
SMN1; SMN2 Q16637 3/20 0.41
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 2/20 0.40
GAA P10253 2/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
ADRB2 P07550 1/20 0.39
ADRB1 P08588 1/20 0.39
CYP2D6 P10635 1/20 0.38
SLC6A4 P31645 1/20 0.38
KCNH2 Q12809 1/20 0.38
CACNA1C Q13936 1/20 0.38
SCN5A Q14524 1/20 0.38
MAPT P10636 1/20 0.38

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
SCHEMBL1769716 1.00 GABRA5 (0.56) GABRA5GABRB2HSD17B10ADRB3SMN1; SMN2
SCHEMBL1769580 0.86 GABRA5 (0.54) GABRA5GABRB2HSD17B10ADRB3SMN1; SMN2
SCHEMBL1769583 0.86 GABRA5 (0.54) GABRA5GABRB2HSD17B10ADRB3SMN1; SMN2
SCHEMBL2235857 0.84 GABRA5 (0.51) GABRA5GABRB2HSD17B10ADRB3SMN1; SMN2
SCHEMBL2235871 0.84 GABRA5 (0.51) GABRA5GABRB2HSD17B10ADRB3SMN1; SMN2
SCHEMBL5244530 0.84 HSD17B10 (0.57) GABRA5GABRB2HSD17B10ADRB3SMN1; SMN2
SCHEMBL10978725 0.78 GABRA5 (0.60) GABRA5GABRB2HSD17B10ADRB3SMN1; SMN2
SCHEMBL5875667 0.78 HSD17B10 (0.60) GABRA5GABRB2HSD17B10ADRB3SMN1; SMN2
SCHEMBL8955092 0.77 HSD17B10 (0.59) GABRA5GABRB2HSD17B10SMN1; SMN2KDM4E
SCHEMBL28694718 0.77 HSD17B10 (0.59) GABRA5GABRB2HSD17B10SMN1; SMN2KDM4E

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 6 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
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 (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 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.