SCHEMBL22653553

SCHEMBL22653553

COc1cccc2c1c(NS(=O)(=O)c1ccc(Cl)s1)nn2Cc1cccc(CNC(=O)C(C)(C)O)c1.[NaH]

nearest known ligand 0.98

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CCR4 P51679 20/20 0.98
CCR5 P51681 1/20 0.98
FFAR4 Q5NUL3 1/20 0.98
SLCO1B1 Q9Y6L6 1/20 0.98

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
SCHEMBL30241543 0.99 CCR4 (1.00) CCR4CCR5FFAR4SLCO1B1
SCHEMBL30241535 0.99 CCR4 (1.00) CCR4CCR5FFAR4SLCO1B1
SCHEMBL30241522 0.99 CCR4 (1.00) CCR4CCR5FFAR4SLCO1B1
SCHEMBL358731 0.99 CCR4 (1.00) CCR4CCR5FFAR4SLCO1B1
SCHEMBL22653557 0.98 CCR4 (0.98) CCR4CCR5FFAR4SLCO1B1
Potassium SCHEMBL30522127 0.98 CCR4 (0.98) CCR4CCR5FFAR4SLCO1B1
SCHEMBL30522123 0.98 CCR4 (0.98) CCR4CCR5FFAR4SLCO1B1
SCHEMBL358278 0.94 CCR4 (0.90) CCR4CCR5FFAR4SLCO1B1
SCHEMBL186736 0.93 CCR4 (1.00) CCR4CCR5FFAR4SLCO1B1
SCHEMBL10235136 0.92 CCR4 (0.86) CCR4CCR5FFAR4SLCO1B1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3738962-B1 SALTS OF A COMPOUND AND USE THEREOF MEDSPRING INTERNATIONAL LTD (CN) 2023-08-02 EP disclosed
CN-110028501-B Compound and preparation method and application thereof 迈德欣国际有限公司 2022-02-22 CN disclosed
US-20210078985-A1 COMPOUND, PREPARATION METHOD THEREFOR, AND USE THEREOF MEDSPRING INTERNATIONAL LIMITED (CN) 2021-03-18 US disclosed
EP-3738962-A1 COMPOUND, PREPARATION METHOD THEREFOR AND USE THEREOF Medspring International Limited (CN) 2020-11-18 EP 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-20210078985-A1 COMPOUND, PREPARATION METHOD THEREFOR, AND USE THEREOF CCR4, CCR1, CCL11 CCR4 1/4885CCR5 14/4885FFAR4 66/4885

“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.