SCHEMBL13585000

SCHEMBL13585000

NC(CNC(=O)c1ccc2c(c1)OCO2)C(=O)O

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.58
NPC1 O15118 6/20 0.57
RAB9A P51151 6/20 0.57
ALDH1A1 P00352 4/20 0.55
HPGD P15428 2/20 0.54
SMN1; SMN2 Q16637 6/20 0.54
TP53 P04637 1/20 0.54
GAA P10253 2/20 0.54
MAPT P10636 2/20 0.54
TDP1 Q9NUW8 1/20 0.54
MAPK1 P28482 2/20 0.53
PKM P14618 2/20 0.53
KDM4E B2RXH2 1/20 0.53
ALPL P05186 1/20 0.53
NFKB1 P19838 1/20 0.52
NFKB2 Q00653 1/20 0.52
RELA Q04206 1/20 0.52
KMT2A Q03164 1/20 0.52
PTGS2 P35354 1/20 0.51
CASP3 P42574 1/20 0.51

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
SCHEMBL13584993 1.00 TSHR (0.58) TSHRNPC1RAB9AALDH1A1HPGD
SCHEMBL13585294 0.87 RAB9A (0.62) TSHRNPC1RAB9AALDH1A1HPGD
SCHEMBL13585289 0.87 RAB9A (0.62) TSHRNPC1RAB9AALDH1A1HPGD
SCHEMBL15208084 0.85 SMN1; SMN2 (0.65) TSHRNPC1RAB9AALDH1A1HPGD
SCHEMBL15208087 0.85 SMN1; SMN2 (0.65) TSHRNPC1RAB9AALDH1A1HPGD
SCHEMBL5606756 0.83 ALDH1A1 (0.65) TSHRNPC1RAB9AALDH1A1HPGD
SCHEMBL5606771 0.83 ALDH1A1 (0.65) TSHRNPC1RAB9AALDH1A1HPGD
SCHEMBL1039149 0.82 GAA (0.74) TSHRNPC1RAB9AALDH1A1HPGD
SCHEMBL2788308 0.79 MAPK1 (0.83) NPC1RAB9AALDH1A1HPGDSMN1; SMN2
SCHEMBL1599746 0.79 MAPK1 (0.83) NPC1RAB9AALDH1A1HPGDSMN1; 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-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
US-20120283168-A1 TEMPLATE-FIXED PEPTIDOMIMETICS WITH CCR10 ANTAGONISTIC ACTIVITY POLYPHOR AG (CH) 2012-11-08 US 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 TSHR 963/4885NPC1 4012/4885RAB9A 2766/4885
US-20150307556-A1 TEMPLATE-FIXED PEPTIDOMIMETICS WITH CXCR7 MODULATING ACTIVITY CXCR1, CXCL12, CXCR6 TSHR 1019/4885NPC1 1872/4885RAB9A 1588/4885
US-20130225506-A1 TEMPLATE-FIXED PEPTIDOMIMETICS WITH CXCR7 MODULATING ACTIVITY CXCR1, CXCL12, CXCR6 TSHR 1105/4885NPC1 1687/4885RAB9A 1674/4885

“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.