SCHEMBL612862

SCHEMBL612862

NCCCc1ccccc1CS(=O)(=O)C1CCCCC1

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
QRFPR Q96P65 1/20 0.39
HTR6 P50406 1/20 0.37
LOXL2 Q9Y4K0 3/20 0.35
LOX P28300 1/20 0.35
ALOX5AP P20292 1/20 0.33
FEN1 P39748 1/20 0.33
USP2 O75604 1/20 0.33
HPGD P15428 1/20 0.33
HSD17B10 Q99714 1/20 0.33
MAOA P21397 1/20 0.33
SIGMAR1 Q99720 2/20 0.32
GCGR P47871 1/20 0.32
CYSLTR2 Q9NS75 1/20 0.32
CYSLTR1 Q9Y271 1/20 0.32
MGLL Q99685 1/20 0.31

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 0.77 HTR6 (0.42) QRFPRHTR6LOXL2LOXUSP2
SCHEMBL613249 0.73 QRFPR (0.39) QRFPRHTR6LOXL2LOXUSP2
SCHEMBL28104630 0.72 QRFPR (0.56) QRFPRUSP2HPGDHSD17B10
SCHEMBL3678681 0.71 TAAR1 (0.50) LOXL2MAOA
SCHEMBL29943451 0.71 TAAR1 (0.50) LOXL2MAOA
SCHEMBL3244251 0.71 HPGD (0.54) QRFPRUSP2HPGDHSD17B10
SCHEMBL27836361 0.70 NUDT1 (0.43)
SCHEMBL612762 0.70 KMT2A (0.38) QRFPRHPGD
SCHEMBL3680377 0.69 MAOA (0.61) MAOA
SCHEMBL21234184 0.69 HPGD (0.51) QRFPRUSP2HPGDHSD17B10

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120041038-A1 AMINE DERIVATIVE COMPOUNDS FOR TREATING OPHTHALMIC DISEASES AND DISORDERS ACUCELA INC. (US) 2012-02-16 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-20120041038-A1 AMINE DERIVATIVE COMPOUNDS FOR TREATING OPHTHALMIC DISEASES AND DISORDERS PDE6D, CLN6, AADAT QRFPR 3141/4885HTR6 110/4885LOXL2 1540/4885

“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.