SCHEMBL2235871

SCHEMBL2235871

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

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA5 P31644 1/20 0.51
GABRB2 P47870 1/20 0.51
HSD17B10 Q99714 1/20 0.51
OTC P00480 1/20 0.46
SHMT1 P34896 1/20 0.44
ADRB3 P13945 3/20 0.41
SMN1; SMN2 Q16637 3/20 0.39
ALDH1A1 P00352 1/20 0.37
KDM4E B2RXH2 1/20 0.37
MEN1 O00255 1/20 0.37
GAA P10253 1/20 0.37
KMT2A Q03164 1/20 0.37
MAPT P10636 1/20 0.37
ADRB2 P07550 1/20 0.37
ADRB1 P08588 1/20 0.37
CYP2D6 P10635 1/20 0.36
SLC6A4 P31645 1/20 0.36
KCNH2 Q12809 1/20 0.36
CACNA1C Q13936 1/20 0.36
SCN5A Q14524 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
SCHEMBL2235857 1.00 GABRA5 (0.51) GABRA5GABRB2HSD17B10OTCSHMT1
SCHEMBL1769580 0.92 GABRA5 (0.54) GABRA5GABRB2HSD17B10SHMT1ADRB3
SCHEMBL1769583 0.92 GABRA5 (0.54) GABRA5GABRB2HSD17B10SHMT1ADRB3
SCHEMBL1769711 0.84 GABRA5 (0.56) GABRA5GABRB2HSD17B10ADRB3SMN1; SMN2
SCHEMBL1769716 0.84 GABRA5 (0.56) GABRA5GABRB2HSD17B10ADRB3SMN1; SMN2
SCHEMBL9198804 0.80 GABRA5 (0.53) GABRA5GABRB2HSD17B10SMN1; SMN2
SCHEMBL2234055 0.80 OTC (0.45) OTCALDH1A1MEN1KMT2AMAPT
SCHEMBL2234043 0.80 OTC (0.45) OTCALDH1A1MEN1KMT2AMAPT
SCHEMBL31370510 0.77 GABRA5 (0.56) GABRA5GABRB2HSD17B10SMN1; SMN2ALDH1A1
SCHEMBL3148233 0.74 NOS1 (0.58) GABRA5GABRB2HSD17B10ADRB3SMN1; 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 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 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.