SCHEMBL1768631

SCHEMBL1768631

Nc1ccc(S(=O)(=O)NC[C@H](N)C(=O)O)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC1A3 P43003 1/20 0.55
SLC1A2 P43004 1/20 0.55
SLC1A1 P43005 1/20 0.55
CYP3A4 P08684 1/20 0.51
CYP2D6 P10635 1/20 0.51
CA1 P00915 7/20 0.50
CA2 P00918 7/20 0.50
CA12 O43570 6/20 0.50
CA9 Q16790 6/20 0.50
PRMT1 Q99873 1/20 0.49
MMP1 P03956 2/20 0.49
MMP2 P08253 2/20 0.49
MMP9 P14780 2/20 0.49
MMP13 P45452 2/20 0.49
MMP8 P22894 1/20 0.49
MMP3 P08254 1/20 0.48
MMP7 P09237 1/20 0.48
ALDH1A1 P00352 2/20 0.48
GBA1 P04062 2/20 0.47
KMT2A Q03164 2/20 0.47

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
SCHEMBL27888805 1.00 SLC1A3 (0.55) SLC1A3SLC1A2SLC1A1CYP3A4CYP2D6
SCHEMBL1768682 0.87 GBA1 (0.63) SLC1A3SLC1A2SLC1A1CA2CA9
SCHEMBL383078 0.87 GBA1 (0.63) SLC1A3SLC1A2SLC1A1CA2CA9
Hydrochloric Acid SCHEMBL7662277 0.85 GBA1 (0.61) SLC1A3SLC1A2SLC1A1CA2CA9
Hydrochloric Acid SCHEMBL382132 0.85 GBA1 (0.61) SLC1A3SLC1A2SLC1A1CA2CA9
Hydrochloric Acid SCHEMBL6739604 0.84 GBA1 (0.65) SLC1A3SLC1A2SLC1A1CYP3A4CA1
SCHEMBL1768517 0.84 CA1 (0.63) SLC1A3SLC1A2SLC1A1CYP3A4CYP2D6
Hydrochloric Acid SCHEMBL6739598 0.84 GBA1 (0.65) SLC1A3SLC1A2SLC1A1CYP3A4CA1
SCHEMBL2234191 0.84 CA1 (0.63) SLC1A3SLC1A2SLC1A1CYP3A4CYP2D6
SCHEMBL29814999 0.82 SLC1A3 (0.59) SLC1A3SLC1A2SLC1A1CYP3A4CA1

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-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
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 SLC1A3 2993/4885SLC1A2 2826/4885SLC1A1 3055/4885
US-20150307556-A1 TEMPLATE-FIXED PEPTIDOMIMETICS WITH CXCR7 MODULATING ACTIVITY CXCR1, CXCL12, CXCR6 SLC1A3 748/4885SLC1A2 842/4885SLC1A1 832/4885
US-20130225506-A1 TEMPLATE-FIXED PEPTIDOMIMETICS WITH CXCR7 MODULATING ACTIVITY CXCR1, CXCL12, CXCR6 SLC1A3 634/4885SLC1A2 734/4885SLC1A1 736/4885

“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.