SCHEMBL18310056

SCHEMBL18310056

C=C1C(=O)C(Nc2cccc(C(=O)N3CCCC3C(=O)OC)c2O)=C1OC

nearest known ligand 0.51

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ CXCR1 P25024 11/20 0.51
▸ CXCR2 P25025 11/20 0.51
▸ CXCR3 P49682 2/20 0.51
▸ CCR6 P51684 2/20 0.51
▸ CCR4 P51679 1/20 0.50
▸ CNR1 P21554 1/20 0.40
▸ CNR2 P34972 1/20 0.40
▸ LOX P28300 1/20 0.39
▸ ALOX5 P09917 1/20 0.38
▸ PDK2 Q15119 1/20 0.37

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
SCHEMBL18310052 0.90 CXCR1 (0.51) CXCR1CXCR2CXCR3CCR6CCR4
SCHEMBL18310049 0.82 CXCR1 (0.53) CXCR1CXCR2CXCR3CCR6CCR4
SCHEMBL18310053 0.82 CXCR1 (0.53) CXCR1CXCR2CXCR3CCR6CCR4
SCHEMBL14904733 0.82 CXCR2 (0.62) CXCR1CXCR2CXCR3CCR6CCR4
SCHEMBL14904744 0.82 CXCR2 (0.62) CXCR1CXCR2CXCR3CCR6CCR4
SCHEMBL18314630 0.82 CXCR2 (0.62) CXCR1CXCR2CXCR3CCR6CCR4
SCHEMBL18556270 0.81 CXCR1 (0.53) CXCR1CXCR2CXCR3CCR6CCR4
SCHEMBL12312383 0.75 CXCR1 (0.47) CXCR1CXCR2CXCR3CCR6CCR4
SCHEMBL12261967 0.75 CXCR1 (0.47) CXCR1CXCR2CXCR3CCR6CCR4
SCHEMBL14904732 0.75 CXCR1 (0.47) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9580412-B2 Disubstituted 3,4-diamino-3-cyclobutene-1,2-dione compounds for use in the treatment of chemokine-mediated diseases GALDERMA RESEARCH & DEVELOPMENT (FR) 2017-02-28 — — US disclosed
US-20160362403-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) 2016-12-15 — — 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 (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-20160362403-A1 NOVEL DISUBSTITUTED 3,4-DIAMINO-3-CYCLOBUTENE-1,2-DIONE COMPOUNDS FOR USE IN THE TREATMENT OF CHEMOKINE-MEDIATED DISEASES CCL2, CCR1, CCL11 CXCR1 10/4885CXCR2 9/4885CXCR3 7/4885

“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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