SCHEMBL19932044

SCHEMBL19932044

Cc1cc(NC(=O)[C@H](CCCCNC(=O)OC(C)(C)C)NC(=O)[C@@H]2Cc3ccccc3CN2C(=O)CCC(=O)c2ccccc2)ccc1Cl

nearest known ligand 0.64

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ CXCR3 P49682 16/20 0.64
▸ CA1 P00915 1/20 0.42
▸ CA2 P00918 1/20 0.42
▸ SIRT5 Q9NXA8 1/20 0.41

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
SCHEMBL19931776 0.95 CXCR3 (0.65) CXCR3CA1CA2SIRT5
SCHEMBL19931851 0.95 CXCR3 (0.67) CXCR3CA1CA2SIRT5
SCHEMBL19931782 0.90 CXCR3 (0.51) CXCR3SIRT5
SCHEMBL21543975 0.90 CXCR3 (0.51) CXCR3SIRT5
SCHEMBL21543974 0.90 CXCR3 (0.51) CXCR3SIRT5
SCHEMBL21567128 0.90 CXCR3 (0.60) CXCR3
SCHEMBL19931766 0.90 CXCR3 (0.60) CXCR3
SCHEMBL19931956 0.90 CXCR3 (0.53) CXCR3
SCHEMBL19931968 0.89 CXCR3 (0.52) CXCR3
SCHEMBL19931898 0.88 CXCR3 (0.51) CXCR3

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11040954-B1 CXCR3 receptor agonists RECEPTOS LLC (US) 2021-06-22 — — US disclosed
US-20190345133-A1 CXCR3 RECEPTOR AGONISTS RECEPTOS LLC 2019-11-14 — — US disclosed
WO-2018045246-A1 CXCR3 RECEPTOR AGONISTS CELGENE INTERNATIONAL II SARL (CH) 2018-03-08 — — 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-11040954-B1 CXCR3 receptor agonists CXCR3, CXCR1, CCR7 CXCR3 1/4885CA1 4037/4885CA2 3314/4885
US-20190345133-A1 CXCR3 RECEPTOR AGONISTS CXCR3, CXCR1, CCR7 CXCR3 1/4885CA1 4037/4885CA2 3314/4885

“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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