SCHEMBL18310053

SCHEMBL18310053

C=C1C(=O)C(Nc2cccc(C(=O)N3CCCC3C(=O)OCC)c2F)=C1OC

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ CXCR1 P25024 12/20 0.53
▸ CXCR2 P25025 12/20 0.53
▸ ALDH1A1 P00352 1/20 0.44
▸ MEN1 O00255 2/20 0.38
▸ KMT2A Q03164 2/20 0.38
▸ CXCR3 P49682 2/20 0.38
▸ CCR6 P51684 2/20 0.38
▸ TSHR P16473 1/20 0.38
▸ RECQL P46063 1/20 0.37
▸ CCR4 P51679 1/20 0.37
▸ MAPT P10636 1/20 0.37
▸ KCNK3 O14649 1/20 0.37
▸ CNR1 P21554 1/20 0.37
▸ CNR2 P34972 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 0.92 CXCR1 (0.51) CXCR1CXCR2CXCR3CCR6CCR4
SCHEMBL18310049 0.88 CXCR1 (0.53) CXCR1CXCR2CXCR3CCR6CCR4
SCHEMBL18314633 0.83 CXCR1 (0.62) CXCR1CXCR2ALDH1A1MEN1KMT2A
SCHEMBL14904743 0.83 CXCR1 (0.62) CXCR1CXCR2ALDH1A1MEN1KMT2A
SCHEMBL18310056 0.82 CXCR1 (0.51) CXCR1CXCR2CXCR3CCR6CCR4
SCHEMBL18314666 0.77 ALDH1A1 (0.51) CXCR1CXCR2ALDH1A1MEN1KMT2A
SCHEMBL14904742 0.76 ALDH1A1 (0.49) CXCR1CXCR2ALDH1A1MEN1KMT2A
SCHEMBL14904768 0.74 CXCR1 (0.60) CXCR1CXCR2CXCR3CCR6CCR4
SCHEMBL18314629 0.74 CXCR1 (0.60) CXCR1CXCR2CXCR3CCR6CCR4
SCHEMBL14904738 0.73 MAPT (0.56) CXCR1CXCR2ALDH1A1MEN1KMT2A

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 9/4885ALDH1A1 1026/4885

“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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