SCHEMBL19931966

SCHEMBL19931966

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

nearest known ligand 0.50

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ CXCR3 P49682 13/20 0.47
▸ TP53 P04637 1/20 0.41
▸ FNTA P49354 1/20 0.41
▸ FNTB P49356 1/20 0.41
▸ CFTR P13569 2/20 0.40
▸ LMNA P02545 1/20 0.39
▸ PKM P14618 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
SCHEMBL21567161 0.94 CXCR3 (0.46) CXCR3TP53FNTAFNTBCFTR
SCHEMBL19931664 0.93 CXCR3 (0.48) CXCR3TP53FNTAFNTBCFTR
SCHEMBL19931954 0.92 CXCR3 (0.49) CXCR3TP53FNTAFNTBCFTR
SCHEMBL21567105 0.91 CXCR3 (0.47) CXCR3FNTAFNTBCFTR
SCHEMBL21567190 0.91 CXCR3 (0.47) CXCR3FNTAFNTBCFTR
SCHEMBL19931779 0.91 CXCR3 (0.48) CXCR3TP53FNTAFNTB
SCHEMBL19927335 0.91 CXCR3 (0.50) CXCR3
SCHEMBL19927333 0.91 CXCR3 (0.50) CXCR3
SCHEMBL19931957 0.91 CXCR3 (0.50) CXCR3
SCHEMBL19927332 0.91 CXCR3 (0.50) 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 1/4885TP53 1874/4885FNTA 3918/4885
US-20190345133-A1 CXCR3 RECEPTOR AGONISTS CXCR3, CXCR1, CCR7 CXCR3 1/4885TP53 1874/4885FNTA 3918/4885

“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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