SCHEMBL21567077

SCHEMBL21567077

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

nearest known ligand 0.49

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ CXCR3 P49682 15/20 0.49
▸ FNTA P49354 1/20 0.40
▸ FNTB P49356 1/20 0.40
▸ CFTR P13569 2/20 0.39
▸ TP53 P04637 1/20 0.39

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
SCHEMBL19931968 0.98 CXCR3 (0.52) CXCR3FNTAFNTBCFTRTP53
SCHEMBL19931821 0.96 CXCR3 (0.47) CXCR3FNTAFNTBCFTRTP53
SCHEMBL19931956 0.91 CXCR3 (0.53) CXCR3FNTAFNTBCFTR
SCHEMBL19931954 0.91 CXCR3 (0.49) CXCR3FNTAFNTBCFTRTP53
SCHEMBL19931898 0.90 CXCR3 (0.51) CXCR3FNTAFNTB
SCHEMBL19927332 0.90 CXCR3 (0.50) CXCR3
SCHEMBL19927333 0.90 CXCR3 (0.50) CXCR3
SCHEMBL19931957 0.90 CXCR3 (0.50) CXCR3
SCHEMBL19927335 0.90 CXCR3 (0.50) CXCR3
SCHEMBL21567222 0.89 CXCR3 (0.49) 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 2 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

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 1/4885FNTA 3918/4885FNTB 2404/4885
US-20190345133-A1 CXCR3 RECEPTOR AGONISTS CXCR3, CXCR1, CCR7 CXCR3 1/4885FNTA 3918/4885FNTB 2404/4885

“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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