SCHEMBL16169933

SCHEMBL16169933

CCN(C)C(=O)c1cccc(Nc2c(N[C@@H](c3ccc(C)o3)C3(C)COC3)c(=O)c2=O)c1O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ CXCR1 P25024 20/20 1.00
▸ CXCR2 P25025 20/20 1.00
▸ CXCR3 P49682 2/20 0.84
▸ CCR6 P51684 1/20 0.84
▸ CXCR6 O00574 1/20 0.63
▸ ACKR3 P25106 1/20 0.63
▸ CXCR4 P61073 1/20 0.63

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
SCHEMBL14895037 0.92 CXCR1 (0.85) CXCR1CXCR2CXCR3CCR6CXCR6
SCHEMBL14895036 0.92 CXCR1 (0.85) CXCR1CXCR2CXCR3CCR6CXCR6
SCHEMBL14894328 0.91 CXCR1 (1.00) CXCR1CXCR2CXCR3CCR6CXCR6
SCHEMBL14905804 0.91 CXCR1 (1.00) CXCR1CXCR2CXCR3CCR6CXCR6
SCHEMBL14894327 0.91 CXCR1 (1.00) CXCR1CXCR2CXCR3CCR6CXCR6
SCHEMBL14905831 0.90 CXCR1 (0.82) CXCR1CXCR2CXCR3CCR6
SCHEMBL14894901 0.90 CXCR1 (1.00) CXCR1CXCR2CXCR3CCR6
SCHEMBL14894903 0.90 CXCR1 (1.00) CXCR1CXCR2CXCR3CCR6
SCHEMBL14895290 0.87 CXCR1 (1.00) CXCR1CXCR2CXCR3CCR6
SCHEMBL14905821 0.87 CXCR2 (0.83) CXCR1CXCR2CXCR3CCR6

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
US-9526732-B2 Disubstituted 3,4-diamino-3-cyclobutene-1,2-dione compounds for use in the treatment of chemokine-mediated pathologies GALDERMA RESEARCH & DEVELOPMENT (FR) 2016-12-27 — — US disclosed
US-20150374708-A1 DISUBSTITUTED 3,4-DIAMINO-3-CYCLOBUTENE-1,2-DIONE COMPOUNDS FOR USE IN THE TREATMENT OF CHEMOKINE-MEDIATED PATHOLOGIES GALDERMA RESEARCH & DEVELOPMENT (FR) 2015-12-31 — — US disclosed
US-9090596-B2 Disubstituted 3,4-diamino-3-cyclobutene-1,2-dione compounds for use in the treatment of chemokine-mediated pathologies GALDERMA RESEARCH & DEVELOPMENT (FR) 2015-07-28 — — US disclosed
US-20140309208-A1 DISUBSTITUTED 3,4-DIAMINO-3-CYCLOBUTENE-1,2-DIONE COMPOUNDS FOR USE IN THE TREATMENT OF CHEMOKINE-MEDIATED PATHOLOGIES GALDERMA RESEARCH & DEVELOPMENT (FR) 2014-10-16 — — 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-20140309208-A1 DISUBSTITUTED 3,4-DIAMINO-3-CYCLOBUTENE-1,2-DIONE COMPOUNDS FOR USE IN THE TREATMENT OF CHEMOKINE-MEDIATED PATHOLOGIES CCL11, CCL2, CCL5 CXCR1 14/4885CXCR2 6/4885CXCR3 7/4885
US-20150374708-A1 DISUBSTITUTED 3,4-DIAMINO-3-CYCLOBUTENE-1,2-DIONE COMPOUNDS FOR USE IN THE TREATMENT OF CHEMOKINE-MEDIATED PATHOLOGIES CCL11, CCL2, CCR1 CXCR1 12/4885CXCR2 5/4885CXCR3 9/4885

“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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