SCHEMBL13630756

SCHEMBL13630756

NCc1cccc(CS(=O)(=O)C2CCCCC2)c1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PRMT6 Q96LA8 1/20 0.41
LOXL2 Q9Y4K0 3/20 0.40
LOX P28300 2/20 0.40
HTR6 P50406 2/20 0.39
SPHK2 Q9NRA0 1/20 0.38
SPHK1 Q9NYA1 1/20 0.38
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37
USP2 O75604 1/20 0.37
HPGD P15428 1/20 0.37
HSD17B10 Q99714 1/20 0.37
PNMT P11086 1/20 0.37
ENPP2 Q13822 1/20 0.37
ALDH1A1 P00352 1/20 0.36
QRFPR Q96P65 1/20 0.36
NCF1 P14598 1/20 0.36

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
SCHEMBL611010 0.85 HTR6 (0.42) LOXL2LOXHTR6SPHK2SPHK1
SCHEMBL13722320 0.84 MAOA (0.40) SPHK2SPHK1USP2HPGDHSD17B10
SCHEMBL13722316 0.83 MAOA (0.41) SPHK2SPHK1HSD17B10ALDH1A1QRFPR
SCHEMBL3244251 0.80 HPGD (0.54) USP2HPGDHSD17B10ALDH1A1QRFPR
SCHEMBL10235940 0.80 XIAP (0.40) SPHK2SPHK1USP2HPGDHSD17B10
SCHEMBL612175 0.79 ALDH1A1 (0.39) SPHK2SPHK1CYP3A4CYP2D6ALDH1A1
SCHEMBL21234184 0.78 HPGD (0.51) USP2HPGDHSD17B10ALDH1A1QRFPR
SCHEMBL18202515 0.77 SPHK2 (0.38) SPHK2SPHK1USP2HPGDHSD17B10
SCHEMBL13722380 0.76 MAOA (0.43) SPHK2SPHK1CYP3A4HSD17B10ALDH1A1
SCHEMBL13722628 0.75 POLB (0.59) CYP3A4CYP2D6ALDH1A1

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-20090281149-A1 Amine Derivative Compounds for Treating Ophthalmic Diseases and Disorders ACUCELA, INC. (US) 2009-11-12 US disclosed
WO-2009058216-A1 AMINE DERIVATIVE COMPOUNDS FOR TREATING OPHTHALMIC DISEASES AND DISORDERS ACUCELA, INC. (US) 2009-05-07 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-20090281149-A1 Amine Derivative Compounds for Treating Ophthalmic Diseases and Disorders PDE6D, CLN6, AADAT PRMT6 516/4885LOXL2 1540/4885LOX 868/4885

“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.