SCHEMBL13585276

SCHEMBL13585276

N[C@@H](CNS(=O)(=O)c1cn[nH]c1)C(=O)O

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ ACLY P53396 1/20 0.41
▸ NAMPT P43490 7/20 0.40
▸ GBA1 P04062 2/20 0.38
▸ NOS2 P35228 1/20 0.37
▸ CASR P41180 3/20 0.35
▸ BMP1 P13497 1/20 0.35
▸ CYP3A4 P08684 1/20 0.35
▸ SLC7A5 Q01650 1/20 0.35
▸ SLC1A3 P43003 1/20 0.35
▸ SLC1A2 P43004 1/20 0.35
▸ SLC1A1 P43005 1/20 0.35
▸ CA2 P00918 1/20 0.34
▸ MMP2 P08253 1/20 0.34
▸ CA9 Q16790 1/20 0.34

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
SCHEMBL13585278 1.00 ACLY (0.41) ACLYNAMPTGBA1NOS2CASR
SCHEMBL13585274 0.87 ACLY (0.39) ACLYNAMPTNOS2CASRBMP1
SCHEMBL13585277 0.87 ACLY (0.39) ACLYNAMPTNOS2CASRBMP1
SCHEMBL1768682 0.76 GBA1 (0.63) GBA1CASRSLC1A3SLC1A2SLC1A1
SCHEMBL383078 0.76 GBA1 (0.63) GBA1CASRSLC1A3SLC1A2SLC1A1
Hydrochloric Acid SCHEMBL7662277 0.75 GBA1 (0.61) GBA1CASRSLC1A3SLC1A2SLC1A1
Hydrochloric Acid SCHEMBL382132 0.75 GBA1 (0.61) GBA1CASRSLC1A3SLC1A2SLC1A1
SCHEMBL27888805 0.74 SLC1A3 (0.55) GBA1CYP3A4SLC1A3SLC1A2SLC1A1
SCHEMBL1768631 0.74 SLC1A3 (0.55) GBA1CYP3A4SLC1A3SLC1A2SLC1A1
SCHEMBL23275757 0.73 ALDH1A1 (0.47) ACLYNAMPT

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
CN-102844327-B Template-fixed peptidomimetics with CXCR7 modulatory activity 波利弗尔股份公司 2016-10-26 — — CN disclosed
CN-102712676-B There is the peptidomimetic that the template of CCR10 antagonistic activity is fixing 波利弗尔股份公司 2016-10-26 — — CN 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
CN-102844327-A Template-fixed peptidomimetics with CXCR7 modulatory activity POLYPHOR AG 2012-12-26 — — CN disclosed
US-20120283168-A1 TEMPLATE-FIXED PEPTIDOMIMETICS WITH CCR10 ANTAGONISTIC ACTIVITY POLYPHOR AG (CH) 2012-11-08 — — US disclosed
CN-102712676-A Template-fixed peptidomimetics with CCR10 antagonistic activty POLYPHOR AG 2012-10-03 — — CN 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 ACLY 4539/4885NAMPT 3946/4885GBA1 2366/4885
US-20150307556-A1 TEMPLATE-FIXED PEPTIDOMIMETICS WITH CXCR7 MODULATING ACTIVITY CXCR1, CXCL12, CXCR6 ACLY 4251/4885NAMPT 1607/4885GBA1 2636/4885
US-20130225506-A1 TEMPLATE-FIXED PEPTIDOMIMETICS WITH CXCR7 MODULATING ACTIVITY CXCR1, CXCL12, CXCR6 ACLY 4239/4885NAMPT 1505/4885GBA1 2840/4885

“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.

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