SCHEMBL14904743

SCHEMBL14904743

CCOC(=O)[C@@H]1CCCN1C(=O)c1cccc(Nc2c(OC)c(=O)c2=O)c1F

nearest known ligand 0.62

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ CXCR1 P25024 13/20 0.62
▸ CXCR2 P25025 13/20 0.62
▸ CXCR3 P49682 2/20 0.47
▸ CCR6 P51684 2/20 0.47
▸ CCR4 P51679 1/20 0.46
▸ ALDH1A1 P00352 2/20 0.45
▸ KDM4E B2RXH2 1/20 0.41
▸ MEN1 O00255 2/20 0.39
▸ KMT2A Q03164 2/20 0.39
▸ TSHR P16473 1/20 0.39
▸ GAA P10253 1/20 0.38
▸ MAPT P10636 1/20 0.38

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
SCHEMBL18314633 1.00 CXCR1 (0.62) CXCR1CXCR2CXCR3CCR6CCR4
SCHEMBL18314629 0.92 CXCR1 (0.60) CXCR1CXCR2CXCR3CCR6CCR4
SCHEMBL14904768 0.92 CXCR1 (0.60) CXCR1CXCR2CXCR3CCR6CCR4
SCHEMBL16109564 0.88 CXCR1 (0.56) CXCR1CXCR2CXCR3CCR6CCR4
SCHEMBL14894986 0.88 CXCR1 (0.56) CXCR1CXCR2CXCR3CCR6CCR4
SCHEMBL14904765 0.88 CXCR1 (0.62) CXCR1CXCR2CXCR3CCR6CCR4
SCHEMBL18314628 0.88 CXCR1 (0.62) CXCR1CXCR2CXCR3CCR6CCR4
SCHEMBL16144516 0.84 CXCR1 (0.48) CXCR1CXCR2CXCR3CCR6CCR4
SCHEMBL18556229 0.84 CXCR1 (0.59) CXCR1CXCR2CXCR3CCR6CCR4
SCHEMBL18310053 0.83 CXCR1 (0.53) CXCR1CXCR2CXCR3CCR6CCR4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9388149-B2 Disubstituted 3,4-diamino-3-cyclobutene-1,2-dione compounds for use in the treatment of chemokine-mediated diseases GALDERMA RESEARCH & DEVELOPMENT (FR) 2016-07-12 — — US disclosed
US-9388149-B2 Disubstituted 3,4-diamino-3-cyclobutene-1,2-dione compounds for use in the treatment of chemokine-mediated diseases GALDERMA RESEARCH & DEVELOPMENT (FR) 2016-07-12 — — US disclosed
EP-2771329-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) 2016-03-16 — — EP disclosed
US-20140296254-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) 2014-10-02 — — US disclosed
US-20140296254-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) 2014-10-02 — — US disclosed
WO-2013061004-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 (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-20140296254-A1 NOVEL DISUBSTITUTED 3,4-DIAMINO-3-CYCLOBUTENE-1,2-DIONE COMPOUNDS FOR USE IN THE TREATMENT OF CHEMOKINE-MEDIATED DISEASES CCL2, CCL11, CCR1 CXCR1 11/4885CXCR2 9/4885CXCR3 6/4885

“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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