SCHEMBL2236675

SCHEMBL2236675

CS(=O)(=O)c1ccc(C(=O)NCCC[C@H](N)C(=O)O)cc1

nearest known ligand 0.57

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 9/20 0.57
CA2 P00918 4/20 0.51
CA1 P00915 3/20 0.51
GRM4 Q14833 1/20 0.51
HDAC3 O15379 1/20 0.51
HDAC1 Q13547 1/20 0.51
NAMPT P43490 1/20 0.50
CYP2C9 P11712 1/20 0.49
CYP2C19 P33261 1/20 0.49
CYP2J2 P51589 1/20 0.49
KDM4E B2RXH2 1/20 0.48
KMT2A Q03164 1/20 0.48
NR1H4 Q96RI1 1/20 0.46
OTC P00480 1/20 0.45
ALDH1A1 P00352 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
CA12 O43570 1/20 0.44
CA9 Q16790 1/20 0.44

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
SCHEMBL2236683 1.00 EPHX2 (0.57) EPHX2CA2CA1GRM4HDAC3
SCHEMBL1768578 0.92 EPHX2 (0.63) EPHX2CA2CA1GRM4HDAC3
SCHEMBL1769822 0.92 EPHX2 (0.63) EPHX2CA2CA1GRM4HDAC3
SCHEMBL23244680 0.87 CA2 (0.51) EPHX2CA2CA1KDM4EKMT2A
SCHEMBL23244679 0.87 CA2 (0.51) EPHX2CA2CA1KDM4EKMT2A
SCHEMBL23244681 0.87 CA2 (0.51) EPHX2CA2CA1KDM4EKMT2A
SCHEMBL28502970 0.84 CA2 (0.65) CA2CA1KDM4EKMT2ACA12
SCHEMBL1769543 0.83 EPHX2 (0.52) EPHX2CA2CA1GRM4CYP2C9
SCHEMBL1769547 0.83 EPHX2 (0.52) EPHX2CA2CA1GRM4CYP2C9
SCHEMBL19746730 0.83 CA2 (0.50) EPHX2CA2CA1KDM4EKMT2A

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 EPHX2 2685/4885CA2 2481/4885CA1 2729/4885
US-20130225506-A1 TEMPLATE-FIXED PEPTIDOMIMETICS WITH CXCR7 MODULATING ACTIVITY CXCR1, CXCL12, CXCR6 EPHX2 2738/4885CA2 2431/4885CA1 2716/4885

“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.