SCHEMBL14905897

SCHEMBL14905897

Cc1ccc(C(Nc2c(Nc3cccc(C(=O)N(C)C)c3O)c(=O)c2=O)C2CCCN(C(=O)OC(C)(C)C)C2)o1

nearest known ligand 0.70

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ CXCR2 P25025 20/20 0.70
▸ CXCR1 P25024 19/20 0.70
▸ CCR7 P32248 4/20 0.70
▸ CCR6 P51684 2/20 0.62
▸ CXCR3 P49682 2/20 0.62
▸ CCR4 P51679 1/20 0.62
▸ CXCR6 O00574 1/20 0.54
▸ ACKR3 P25106 1/20 0.54
▸ CXCR4 P61073 1/20 0.54

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
SCHEMBL14905958 0.91 CXCR2 (0.77) CXCR2CXCR1CCR7CCR6CXCR3
SCHEMBL17698424 0.84 CXCR2 (0.74) CXCR2CXCR1CCR7CCR6CXCR3
SCHEMBL14894938 0.82 CXCR1 (0.84) CXCR2CXCR1CCR7CCR6CXCR3
SCHEMBL14905813 0.80 CXCR1 (0.73) CXCR2CXCR1CCR7CCR6CXCR3
SCHEMBL14894600 0.80 CXCR2 (1.00) CXCR2CXCR1CCR7CCR6CXCR3
SCHEMBL14905895 0.79 CXCR1 (0.72) CXCR2CXCR1CCR7CCR6CXCR3
SCHEMBL14894973 0.77 CXCR1 (1.00) CXCR2CXCR1CCR7CCR6CXCR3
SCHEMBL14895441 0.77 CXCR1 (1.00) CXCR2CXCR1CCR7CCR6CXCR3
SCHEMBL14895013 0.77 CXCR2 (1.00) CXCR2CXCR1CCR7CCR6CXCR3
SCHEMBL12262705 0.75 CXCR2 (1.00) CXCR2CXCR1CCR7CCR6CXCR3

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 20 patents. 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
WO-2019165315-A1 METHOD FOR TREATING CANCER USING CHEMOKINE ANTAGONISTS ALONE OR IN COMBINATION SYNTRIX BIOSYSTEMS INC. (US) 2019-08-29 — — WO 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-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
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 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-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-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
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 CXCR2 7/4885CXCR1 14/4885CCR7 16/4885
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 CXCR2 8/4885CXCR1 15/4885CCR7 13/4885

“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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