SCHEMBL6493574

SCHEMBL6493574

CCN(C(=O)OC(C)(C)C)c1ccc(CBr)c(Cl)c1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.37
MT-CO2 P00403 1/20 0.36
ITGB1 P05556 1/20 0.35
ITGA4 P13612 1/20 0.35
IDO1 P14902 2/20 0.34
TP53 P04637 3/20 0.33
HTT P42858 3/20 0.33
MAPT P10636 2/20 0.33
ALDH1A1 P00352 2/20 0.33
HPGD P15428 2/20 0.33
GLA P06280 1/20 0.33
XBP1 P17861 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
HSD17B10 Q99714 1/20 0.33
KDM4E B2RXH2 2/20 0.33
TSHR P16473 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
MLYCD O95822 1/20 0.33
SMN1; SMN2 Q16637 2/20 0.32

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
SCHEMBL27556225 0.90 CYP3A4 (0.36) CYP3A4MT-CO2ITGB1ITGA4IDO1
SCHEMBL5673919 0.85 MT-CO2 (0.38) MT-CO2ITGB1ITGA4IDO1TP53
SCHEMBL6492174 0.84 BRD4 (0.39) MT-CO2IDO1TP53SMN1; SMN2AAK1
SCHEMBL6500664 0.83 RAB9A (0.43) CYP3A4MT-CO2HTTALDH1A1HPGD
SCHEMBL6493051 0.82 PDK1 (0.39) MT-CO2ALDH1A1
SCHEMBL11003410 0.81 CYP3A4 (0.46) CYP3A4TP53ALDH1A1GLATSHR
SCHEMBL27558272 0.79 MRGPRX4 (0.39) CYP3A4ITGB1ITGA4TP53HTT
SCHEMBL7833383 0.77 CYP2D6 (0.37) TSHRRAB9AMEN1KMT2A
SCHEMBL13234266 0.75 GRM2 (0.41) MT-CO2IDO1TP53ALDH1A1TSHR
SCHEMBL3315175 0.75 TSHR (0.39) CYP3A4HTTMAPTALDH1A1HPGD

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-6890934-B2 Sulfonamide compounds and uses thereof as medicines FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2005-05-10 US disclosed
US-20030171396-A1 Sulfonamide compounds and uses thereof as medicines FUJISAWA PHARMACEUTICAL CO. LTD. (JP) 2003-09-11 US disclosed
US-6573274-B1 Treatment of the diseases curable based on a hypoglycemic action, and the diseases curable based on a cGMP-PDE inhibitory action, a smooth muscle relaxing action, a bronchodilating action, a vasodilating action, a smooth muscle FUJISAWA PHARMACEUTICAL CO. LTD. (JP) 2003-06-03 US disclosed
CN-1335847-A Sulfonamide compound and pharmaceutical use thereof FUJISAWA PHARMACEUTICAL CO (JP) 2002-02-13 CN disclosed
EP-1136492-A1 SULFONAMIDE COMPOUNDS AND USES THEREOF AS MEDICINES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2001-09-26 EP disclosed
US-4552585-A Herbicidal 2-(aminophenyl)methyl derivatives of 3-isoxazolidinones or 3-oxazinones FMC CORPORATION (US) 1985-11-12 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-20030171396-A1 Sulfonamide compounds and uses thereof as medicines PDE2A, PDE3A, PDE5A CYP3A4 1384/4885MT-CO2 4628/4885ITGB1 3475/4885

“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.