SCHEMBL14894646

SCHEMBL14894646

Cc1ccc(C(Nc2c(Nc3cccc(C(=O)N(C)C)c3O)c(=O)c2=O)C2(C)CCOCC2)o1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ CXCR1 P25024 20/20 1.00
▸ CXCR2 P25025 20/20 1.00
▸ CXCR3 P49682 2/20 0.85
▸ CCR6 P51684 2/20 0.85
▸ CXCR6 O00574 1/20 0.76
▸ ACKR3 P25106 1/20 0.76
▸ CXCR4 P61073 1/20 0.76
▸ CCR7 P32248 4/20 0.67

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
SCHEMBL21297009 1.00 CXCR1 (1.00) CXCR1CXCR2CXCR3CCR6CXCR6
SCHEMBL12263314 0.95 CXCR1 (0.90) CXCR1CXCR2CXCR3CCR6CXCR6
SCHEMBL14894328 0.92 CXCR1 (1.00) CXCR1CXCR2CXCR3CCR6CXCR6
SCHEMBL14894327 0.92 CXCR1 (1.00) CXCR1CXCR2CXCR3CCR6CXCR6
SCHEMBL14905804 0.92 CXCR1 (1.00) CXCR1CXCR2CXCR3CCR6CXCR6
SCHEMBL14895162 0.86 CXCR1 (0.80) CXCR1CXCR2CXCR3CCR6CXCR6
SCHEMBL14895346 0.86 CXCR1 (1.00) CXCR1CXCR2CXCR3CCR6CXCR6
SCHEMBL14894864 0.84 CXCR1 (1.00) CXCR1CXCR2CXCR3CCR6CXCR6
SCHEMBL16169933 0.84 CXCR1 (1.00) CXCR1CXCR2CXCR3CCR6CXCR6
SCHEMBL14894886 0.84 CXCR1 (1.00) CXCR1CXCR2CXCR3CCR6CXCR6

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 24 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9415039-B2 Disubstituted 3,4-diamino-3-cyclobutene-1,2-dione compounds for use in the treatment of chemokine-mediated diseases GALDERMA RESEARCH & DEVELOPMENT (FR) 2016-08-16 — — US claimed
US-20160166562-A1 DISUBSTITUTED 3,4-DIAMINO-3-CYCLOBUTENE-1,2-DIONE COMPOUNDS FOR USE IN THE TREATMENT OF CHEMOKINE-MEDIATED DISEASES GALDERMA RESEARCH & DEVELOPMENT (FR) 2016-06-16 — — US claimed
EP-2771336-B1 NOVEL DISUBSTITUTED 3,4-DIAMINO-3-CYCLOBUTENE-1,2-DIONE COMPOUNDS FOR USE IN THE TREATMENT OF CHEMOKINE-MEDIATED DISEASES GALDERMA RES & DEV (FR) 2016-04-27 — — EP claimed
US-9120772-B2 Disubstituted 3,4-diamino-3-cyclobutene-1,2-dione compounds for use in the treatment of chemokine-mediated diseases GALDERMA RESEARCH & DEVELOPMENT (FR) 2015-09-01 — — US claimed
US-20150087675-A1 NOVEL DISUBSTITUTED 3,4-DIAMINO-3-CYCLOBUTENE-1,2-DIONE COMPOUNDS FOR USE IN THE TREATMENT OF CHEMOKINE-MEDIATED DISEASES GLADERMA RESEARCH & DEVELOPMENT (FR) 2015-03-26 — — US claimed
EP-2771336-A1 NOVEL DISUBSTITUTED 3,4-DIAMINO-3-CYCLOBUTENE-1,2-DIONE COMPOUNDS FOR USE IN THE TREATMENT OF CHEMOKINE-MEDIATED DISEASES Galderma Research & Development (FR) 2014-09-03 — — EP claimed
WO-2013061002-A1 NOVEL DISUBSTITUTED 3,4-DIAMINO-3-CYCLOBUTENE-1,2-DIONE COMPOUNDS FOR USE IN THE TREATMENT OF CHEMOKINE-MEDIATED DISEASES GALDERMA RESEARCH & DEVELOPMENT (FR) 2013-05-02 — — WO claimed
US-9415039-B2 Disubstituted 3,4-diamino-3-cyclobutene-1,2-dione compounds for use in the treatment of chemokine-mediated diseases GALDERMA RESEARCH & DEVELOPMENT (FR) 2016-08-16 — — US disclosed
US-9415039-B2 Disubstituted 3,4-diamino-3-cyclobutene-1,2-dione compounds for use in the treatment of chemokine-mediated diseases GALDERMA RESEARCH & DEVELOPMENT (FR) 2016-08-16 — — US disclosed
US-9415039-B2 Disubstituted 3,4-diamino-3-cyclobutene-1,2-dione compounds for use in the treatment of chemokine-mediated diseases GALDERMA RESEARCH & DEVELOPMENT (FR) 2016-08-16 — — US disclosed
US-20160166562-A1 DISUBSTITUTED 3,4-DIAMINO-3-CYCLOBUTENE-1,2-DIONE COMPOUNDS FOR USE IN THE TREATMENT OF CHEMOKINE-MEDIATED DISEASES GALDERMA RESEARCH & DEVELOPMENT (FR) 2016-06-16 — — US disclosed
US-20160166562-A1 DISUBSTITUTED 3,4-DIAMINO-3-CYCLOBUTENE-1,2-DIONE COMPOUNDS FOR USE IN THE TREATMENT OF CHEMOKINE-MEDIATED DISEASES GALDERMA RESEARCH & DEVELOPMENT (FR) 2016-06-16 — — US disclosed
US-20160166562-A1 DISUBSTITUTED 3,4-DIAMINO-3-CYCLOBUTENE-1,2-DIONE COMPOUNDS FOR USE IN THE TREATMENT OF CHEMOKINE-MEDIATED DISEASES GALDERMA RESEARCH & DEVELOPMENT (FR) 2016-06-16 — — US disclosed
US-9120772-B2 Disubstituted 3,4-diamino-3-cyclobutene-1,2-dione compounds for use in the treatment of chemokine-mediated diseases GALDERMA RESEARCH & DEVELOPMENT (FR) 2015-09-01 — — US disclosed
US-20150087675-A1 NOVEL DISUBSTITUTED 3,4-DIAMINO-3-CYCLOBUTENE-1,2-DIONE COMPOUNDS FOR USE IN THE TREATMENT OF CHEMOKINE-MEDIATED DISEASES GLADERMA RESEARCH & DEVELOPMENT (FR) 2015-03-26 — — US disclosed
US-20150087675-A1 NOVEL DISUBSTITUTED 3,4-DIAMINO-3-CYCLOBUTENE-1,2-DIONE COMPOUNDS FOR USE IN THE TREATMENT OF CHEMOKINE-MEDIATED DISEASES GLADERMA RESEARCH & DEVELOPMENT (FR) 2015-03-26 — — US disclosed
US-20150087675-A1 NOVEL DISUBSTITUTED 3,4-DIAMINO-3-CYCLOBUTENE-1,2-DIONE COMPOUNDS FOR USE IN THE TREATMENT OF CHEMOKINE-MEDIATED DISEASES GLADERMA RESEARCH & DEVELOPMENT (FR) 2015-03-26 — — US disclosed
EP-2771336-A1 NOVEL DISUBSTITUTED 3,4-DIAMINO-3-CYCLOBUTENE-1,2-DIONE COMPOUNDS FOR USE IN THE TREATMENT OF CHEMOKINE-MEDIATED DISEASES Galderma Research & Development (FR) 2014-09-03 — — EP disclosed
WO-2013061002-A1 NOVEL DISUBSTITUTED 3,4-DIAMINO-3-CYCLOBUTENE-1,2-DIONE COMPOUNDS FOR USE IN THE TREATMENT OF CHEMOKINE-MEDIATED DISEASES GALDERMA RESEARCH & DEVELOPMENT (FR) 2013-05-02 — — WO disclosed
WO-2013061002-A1 NOVEL DISUBSTITUTED 3,4-DIAMINO-3-CYCLOBUTENE-1,2-DIONE COMPOUNDS FOR USE IN THE TREATMENT OF CHEMOKINE-MEDIATED DISEASES GALDERMA RESEARCH & DEVELOPMENT (FR) 2013-05-02 — — 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-20150087675-A1 NOVEL DISUBSTITUTED 3,4-DIAMINO-3-CYCLOBUTENE-1,2-DIONE COMPOUNDS FOR USE IN THE TREATMENT OF CHEMOKINE-MEDIATED DISEASES CXCR3, CCR5, CCL11 CXCR1 14/4885CXCR2 7/4885CXCR3 1/4885
US-20160166562-A1 DISUBSTITUTED 3,4-DIAMINO-3-CYCLOBUTENE-1,2-DIONE COMPOUNDS FOR USE IN THE TREATMENT OF CHEMOKINE-MEDIATED DISEASES CCR5, CCL11, CCR1 CXCR1 15/4885CXCR2 8/4885CXCR3 4/4885

“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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