SCHEMBL7572555

SCHEMBL7572555

COC(=O)c1ccc(NS(=O)(=O)c2ccc(C(F)(F)F)cc2)c(NS(=O)(=O)c2ccc(C(F)(F)F)cc2)c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 6/20 0.60
ALDH1A1 P00352 6/20 0.57
TSHR P16473 4/20 0.57
NPSR1 Q6W5P4 1/20 0.57
KDM1A O60341 2/20 0.54
KDM4E B2RXH2 3/20 0.54
HPGD P15428 1/20 0.54
CASP1 P29466 1/20 0.54
CASP7 P55210 1/20 0.54
HSD17B10 Q99714 1/20 0.54
LMNA P02545 2/20 0.50
PKM P14618 1/20 0.50
CCR9 P51686 1/20 0.50
MAPK1 P28482 1/20 0.48
HDAC3 O15379 1/20 0.48
HDAC4 P56524 1/20 0.48
HDAC1 Q13547 1/20 0.48
HDAC7 Q8WUI4 1/20 0.48
HDAC2 Q92769 1/20 0.48
HDAC10 Q969S8 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
SCHEMBL7572374 0.88 NPSR1 (0.58) CYP2C9ALDH1A1TSHRNPSR1KDM1A
SCHEMBL7567314 0.86 NPSR1 (0.59) CYP2C9ALDH1A1NPSR1LMNAACLY
SCHEMBL15830515 0.86 ALDH1A1 (0.62) CYP2C9ALDH1A1TSHRNPSR1KDM4E
SCHEMBL7570517 0.85 CYP2C9 (0.61) CYP2C9ALDH1A1TSHRNPSR1KDM4E
SCHEMBL7569777 0.85 CYP2C9 (0.64) CYP2C9ALDH1A1TSHRNPSR1KDM4E
SCHEMBL118273 0.84 KDM1A (0.51) CYP2C9ALDH1A1TSHRNPSR1KDM1A
SCHEMBL7573928 0.84 CYP2C9 (0.82) CYP2C9ALDH1A1TSHRNPSR1KDM4E
SCHEMBL15830581 0.83 ALDH1A1 (0.81) CYP2C9ALDH1A1TSHRNPSR1KDM4E
SCHEMBL15830513 0.83 CYP2C9 (0.64) CYP2C9ALDH1A1TSHRNPSR1KDM4E
SCHEMBL15830615 0.83 CYP2C9 (0.64) CYP2C9ALDH1A1TSHRNPSR1KDM4E

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-9856230-B2 Enzyme inhibitors UNIVERSITY OF SUNDERLAND (GB) 2018-01-02 US disclosed
US-20150322035-A1 Enzyme Inhibitors UNIVERSITY OF SUNDERLAND (GB) 2015-11-12 US disclosed
WO-2014096864-A9 ENZYME INHIBITORS UNIVERSITY OF SUNDERLAND (GB) 2015-03-05 WO disclosed
WO-2014096864-A1 ENZYME INHIBITORS UNIVERSITY OF SUNDERLAND (GB) 2014-06-26 WO disclosed
EP-1239852-A2 BISSULFONAMIDE DERIVATIVES AS ENZYME INHIBITORS Arrow Therapeutics Limited (GB) 2002-09-18 EP disclosed
WO-2001028537-A2 BISSULFONAMIDE DERIVATIVES AS ENZYME INHIBITORS ARROW THERAPEUTICS LIMITED (GB) 2001-04-26 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-20150322035-A1 Enzyme Inhibitors TXNRD3, TXNRD2, TXNRD1 CYP2C9 1962/4885ALDH1A1 687/4885TSHR 1828/4885

“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.