SCHEMBL22891539

SCHEMBL22891539

COc1cc(C(=O)NC2CC3CCCC(C2)N3CC(=O)Nc2ccccc2Cl)cc(OC)c1OC

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CXCR6 O00574 18/20 1.00
CXCR4 P61073 1/20 1.00

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
SCHEMBL31118803 1.00 CXCR6 (1.00) CXCR6CXCR4
SCHEMBL30027796 1.00 CXCR6 (1.00) CXCR6CXCR4
SCHEMBL30028515 0.77 CXCR6 (1.00) CXCR6CXCR4
SCHEMBL30028230 0.74 CXCR6 (1.00) CXCR6CXCR4
SCHEMBL3415947 0.73 KMT2A (0.98) CXCR6
SCHEMBL13856379 0.73 KMT2A (0.98) CXCR6
Hydrochloric Acid SCHEMBL2114038 0.72 KMT2A (1.00) CXCR6
SCHEMBL30027277 0.72 CXCR6 (0.83) CXCR6CXCR4
SCHEMBL22891537 0.70 TSHR (0.64) CXCR6CXCR4
SCHEMBL21928924 0.69 POLB (0.59) CXCR6CXCR4

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-20220402908-A1 CXCR6 INHIBITORS AND METHODS OF USE Sanford Burnham Prebys Medical Discovery Institute 2022-12-22 US disclosed
WO-2021007208-A1 CXCR6 INHIBITORS AND METHODS OF USE Sanford Burnham Prebys Medical Discovery Institute (US) 2021-01-14 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 (1 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-20220402908-A1 CXCR6 INHIBITORS AND METHODS OF USE CXCR6, CXCR1, CXCR5 CXCR6 1/4885CXCR4 5/4885

“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.