SCHEMBL14895147

SCHEMBL14895147

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

nearest known ligand 0.74

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
FKBP1A P62942 3/20 0.67
ALDH1A1 P00352 2/20 0.67
MAPK1 P28482 1/20 0.67
LMNA P02545 1/20 0.59
ACHE P22303 1/20 0.56
KDM4E B2RXH2 1/20 0.56
HSD17B10 Q99714 1/20 0.56
MEN1 O00255 2/20 0.53
KMT2A Q03164 2/20 0.53
EPHX2 P34913 1/20 0.53

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
SCHEMBL14895148 1.00 FKBP1A (0.67) FKBP1AALDH1A1MAPK1LMNAACHE
SCHEMBL16164040 1.00 FKBP1A (0.67) FKBP1AALDH1A1MAPK1LMNAACHE
SCHEMBL9451880 1.00 FKBP1A (0.67) FKBP1AALDH1A1MAPK1LMNAACHE
SCHEMBL15062394 0.96 ALDH1A1 (0.72) FKBP1AALDH1A1MAPK1LMNAACHE
SCHEMBL14905830 0.86 FKBP1A (0.74) FKBP1AALDH1A1MAPK1LMNAACHE
SCHEMBL26616350 0.86 MMP2 (0.60) FKBP1AALDH1A1ACHEKDM4EHSD17B10
SCHEMBL3720939 0.86 MMP2 (0.60) FKBP1AALDH1A1ACHEKDM4EHSD17B10
SCHEMBL16169931 0.82 ACHE (0.73) FKBP1AALDH1A1MAPK1LMNAACHE
SCHEMBL26616321 0.82 ALDH1A1 (0.66) FKBP1AALDH1A1MAPK1ACHEKDM4E
SCHEMBL14894962 0.81 VCAM1 (0.62) ALDH1A1KDM4EHSD17B10MEN1KMT2A

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 7 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
EP-2771334-A1 DISUBSTITUTED 3,4-DIAMINO-3-CYCLOBUTENE-1,2-DIONE COMPOUNDS FOR USE IN THE TREATMENT OF CHEMOKINE-MEDIATED PATHOLOGIES Galderma Research & Development (FR) 2014-09-03 EP 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.