SCHEMBL14905830

SCHEMBL14905830

COC(=O)[C@H]1CCCN1S(=O)(=O)c1cccc([N+](=O)[O-])c1

nearest known ligand 0.74

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
FKBP1A P62942 4/20 0.74
ALDH1A1 P00352 2/20 0.65
MAPK1 P28482 1/20 0.65
CASP3 P42574 1/20 0.57
ACHE P22303 1/20 0.55
LMNA P02545 1/20 0.54
MEN1 O00255 2/20 0.53
KMT2A Q03164 2/20 0.53
EPHX2 P34913 1/20 0.53
FKBP5 Q13451 1/20 0.50
MMP2 P08253 1/20 0.48

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
SCHEMBL16763315 0.87 MMP2 (0.61) FKBP1AALDH1A1MAPK1CASP3ACHE
SCHEMBL16763314 0.87 MMP2 (0.61) FKBP1AALDH1A1MAPK1CASP3ACHE
SCHEMBL14895147 0.86 FKBP1A (0.67) FKBP1AALDH1A1MAPK1ACHELMNA
SCHEMBL9451880 0.86 FKBP1A (0.67) FKBP1AALDH1A1MAPK1ACHELMNA
SCHEMBL14895148 0.86 FKBP1A (0.67) FKBP1AALDH1A1MAPK1ACHELMNA
SCHEMBL16164040 0.86 FKBP1A (0.67) FKBP1AALDH1A1MAPK1ACHELMNA
SCHEMBL15062616 0.85 FKBP1A (1.00) FKBP1AALDH1A1MAPK1ACHELMNA
SCHEMBL28962073 0.84 MMP2 (0.58) FKBP1AALDH1A1CASP3ACHEKMT2A
SCHEMBL3099904 0.84 MMP2 (0.58) FKBP1AALDH1A1CASP3ACHEKMT2A
SCHEMBL15062394 0.83 ALDH1A1 (0.72) FKBP1AALDH1A1MAPK1ACHELMNA

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-9526732-B2 Disubstituted 3,4-diamino-3-cyclobutene-1,2-dione compounds for use in the treatment of chemokine-mediated pathologies GALDERMA RESEARCH & DEVELOPMENT (FR) 2016-12-27 US disclosed
US-20150374708-A1 DISUBSTITUTED 3,4-DIAMINO-3-CYCLOBUTENE-1,2-DIONE COMPOUNDS FOR USE IN THE TREATMENT OF CHEMOKINE-MEDIATED PATHOLOGIES GALDERMA RESEARCH & DEVELOPMENT (FR) 2015-12-31 US disclosed
EP-2771334-B1 DISUBSTITUTED 3,4-DIAMINO-3-CYCLOBUTENE-1,2-DIONE COMPOUNDS FOR USE IN THE TREATMENT OF CHEMOKINE-MEDIATED PATHOLOGIES GALDERMA RES & DEV (FR) 2015-08-19 EP disclosed
US-9090596-B2 Disubstituted 3,4-diamino-3-cyclobutene-1,2-dione compounds for use in the treatment of chemokine-mediated pathologies GALDERMA RESEARCH & DEVELOPMENT (FR) 2015-07-28 US disclosed
US-20140309208-A1 DISUBSTITUTED 3,4-DIAMINO-3-CYCLOBUTENE-1,2-DIONE COMPOUNDS FOR USE IN THE TREATMENT OF CHEMOKINE-MEDIATED PATHOLOGIES GALDERMA RESEARCH & DEVELOPMENT (FR) 2014-10-16 US disclosed
WO-2013061005-A1 DISUBSTITUTED 3,4-DIAMINO-3-CYCLOBUTENE-1,2-DIONE COMPOUNDS FOR USE IN THE TREATMENT OF CHEMOKINE-MEDIATED PATHOLOGIES 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-20140309208-A1 DISUBSTITUTED 3,4-DIAMINO-3-CYCLOBUTENE-1,2-DIONE COMPOUNDS FOR USE IN THE TREATMENT OF CHEMOKINE-MEDIATED PATHOLOGIES CCL11, CCL2, CCL5 FKBP1A 1308/4885ALDH1A1 572/4885MAPK1 1624/4885
US-20150374708-A1 DISUBSTITUTED 3,4-DIAMINO-3-CYCLOBUTENE-1,2-DIONE COMPOUNDS FOR USE IN THE TREATMENT OF CHEMOKINE-MEDIATED PATHOLOGIES CCL11, CCL2, CCR1 FKBP1A 820/4885ALDH1A1 618/4885MAPK1 790/4885

“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.