SCHEMBL1768570

SCHEMBL1768570

N#Cc1ccc(S(=O)(=O)NC[C@H](N)C(=O)O)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 2/20 0.54
MMP13 P45452 3/20 0.50
MMP1 P03956 2/20 0.50
MMP2 P08253 2/20 0.50
MMP3 P08254 2/20 0.50
MMP7 P09237 2/20 0.50
MMP9 P14780 2/20 0.50
EEF2K O00418 2/20 0.49
LSS P48449 1/20 0.48
KDM1A O60341 1/20 0.47
ATIC P31939 1/20 0.46
MAOA P21397 1/20 0.43
MAOB P27338 1/20 0.43
CA12 O43570 1/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
CA9 Q16790 1/20 0.43
GBA1 P04062 2/20 0.43
GRIK1 P39086 1/20 0.43
GRIK2 Q13002 1/20 0.43

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
SCHEMBL27888849 1.00 CYP19A1 (0.54) CYP19A1MMP13MMP1MMP2MMP3
SCHEMBL2237893 0.86 TRPV4 (0.53) CYP19A1MMP13MMP1MMP2MMP3
SCHEMBL13585476 0.86 TRPV4 (0.53) CYP19A1MMP13MMP1MMP2MMP3
SCHEMBL27888805 0.82 SLC1A3 (0.55) MMP13MMP1MMP2MMP3MMP7
SCHEMBL1768631 0.82 SLC1A3 (0.55) MMP13MMP1MMP2MMP3MMP7
SCHEMBL1768682 0.82 GBA1 (0.63) MMP1MMP2CA2CA9GBA1
SCHEMBL383078 0.82 GBA1 (0.63) MMP1MMP2CA2CA9GBA1
Hydrochloric Acid SCHEMBL7662277 0.80 GBA1 (0.61) MMP1MMP2CA2CA9GBA1
Hydrochloric Acid SCHEMBL382132 0.80 GBA1 (0.61) MMP1MMP2CA2CA9GBA1
SCHEMBL1768833 0.80 TPH1 (0.42) CYP19A1MMP13MMP1MMP2MMP3

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 13 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-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
CN-102844327-B Template-fixed peptidomimetics with CXCR7 modulatory activity 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
EP-2501715-A1 TEMPLATE-FIXED PEPTIDOMIMETICS WITH CCR10 ANTAGONISTIC ACTIVTY Polyphor Ag (CH) 2012-09-26 EP disclosed
WO-2011060937-A1 TEMPLATE-FIXED PEPTIDOMIMETICS WITH CCR10 ANTAGONISTIC ACTIVTY 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 CYP19A1 4085/4885MMP13 1770/4885MMP1 2630/4885
US-20150307556-A1 TEMPLATE-FIXED PEPTIDOMIMETICS WITH CXCR7 MODULATING ACTIVITY CXCR1, CXCL12, CXCR6 CYP19A1 3673/4885MMP13 2144/4885MMP1 2363/4885
US-20130225506-A1 TEMPLATE-FIXED PEPTIDOMIMETICS WITH CXCR7 MODULATING ACTIVITY CXCR1, CXCL12, CXCR6 CYP19A1 3657/4885MMP13 2164/4885MMP1 2284/4885

“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.