Sugi Predict

Sugi Predict / Compounds / SCHEMBL1960013

SCHEMBL1960013

SCHEMBL1960013

CC(CCO)c1ccc(F)cc1

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ TRPA1 O75762 2/20 0.46
▸ AOC3 Q16853 1/20 0.40
▸ HTT P42858 1/20 0.40
▸ MAOA P21397 1/20 0.38
▸ MAOB P27338 1/20 0.38
▸ HSD11B1 P28845 1/20 0.37
▸ ALDH1A1 P00352 2/20 0.37
▸ KDM4E B2RXH2 1/20 0.37
▸ POLB P06746 1/20 0.36
▸ ESR1 P03372 1/20 0.36
▸ ESR2 Q92731 1/20 0.36
▸ HPGD P15428 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
SCHEMBL1839872 1.00 TRPA1 (0.46) TRPA1AOC3HTTMAOAMAOB
SCHEMBL1834256 1.00 TRPA1 (0.46) TRPA1AOC3HTTMAOAMAOB
SCHEMBL11493405 0.94 TRPA1 (0.42) TRPA1AOC3HSD11B1
SCHEMBL11507656 0.89 TRPA1 (0.39) TRPA1HTTALDH1A1
SCHEMBL1045711 0.88 TRPA1 (0.40) TRPA1AOC3HTTHSD11B1ALDH1A1
SCHEMBL2558297 0.82 TRPA1 (0.50) TRPA1AOC3HTTALDH1A1KDM4E
SCHEMBL1653943 0.82 TRPA1 (0.48) TRPA1HTTALDH1A1POLBESR1
SCHEMBL8056888 0.82 TRPA1 (0.50) TRPA1AOC3HTTALDH1A1KDM4E
SCHEMBL2558294 0.82 TRPA1 (0.50) TRPA1AOC3HTTALDH1A1KDM4E
SCHEMBL11544423 0.81 CYP2C19 (0.43) HSD11B1ALDH1A1KDM4EHPGD

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 21 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023230540-A2 INDAZOLE DERIVATIVES FOR TREATING TRPM3-MEDIATED DISORDERS KATHOLIEKE UNIVERSITEIT LEUVEN (BE) 2023-11-30 — — WO disclosed
WO-2023230542-A2 PYRAZOLO[1,5-a]PYRIDINE DERIVATIVES FOR TREATING TRPM3-MEDIATED DISORDERS KATHOLIEKE UNIVERSITEIT LEUVEN (BE) 2023-11-30 — — WO disclosed
US-20180273476-A1 AMINE DERIVATIVES AS POTASSIUM CHANNEL BLOCKERS MERCK PATENT GMBH (DE) 2018-09-27 — — US disclosed
US-9914702-B2 Amine derivatives as potassium channel blockers BIONOMICS LIMITED (AU) 2018-03-13 — — US disclosed
US-20170362151-A1 COMPOSITIONS AND METHODS FOR REDUCTION OF KETONES, ALDEHYDES AND IMINIUMS, AND PRODUCTS PRODUCED THEREBY BOARD OF TRUSTEES OF NORTHERN ILLINOIS UNIVERSITY (US) 2017-12-21 — — US disclosed
EP-2709985-B1 AMINE DERIVATIVES AS POTASSIUM CHANNEL BLOCKERS BIONOMICS LTD (AU) 2017-10-04 — — EP disclosed
US-20170088519-A1 AMINE DERIVATIVES AS POTASSIUM CHANNEL BLOCKERS BIONOMICS, LTD (AU) 2017-03-30 — — US disclosed
US-9493451-B2 Amine derivatives as potassium channel blockers BIONOMICS LIMITED (AU) 2016-11-15 — — US disclosed
EP-2321287-B1 4,5-DIHYDRO-OXAZOL-2-YL DERIVATIVES HOFFMANN LA ROCHE (CH) 2015-11-11 — — EP disclosed
US-20150299184-A1 Amine Derivatives as Potassium Channel Blockers BIONOMICS LIMITED (AU) 2015-10-22 — — US disclosed
US-8729113-B2 4,5-dihydro-oxazol-2yl derivatives HOFFMANN-LA ROCHE INC. (US) 2014-05-20 — — US disclosed
EP-2709985-A1 AMINE DERIVATIVES AS POTASSIUM CHANNEL BLOCKERS Bionomics Limited (AU) 2014-03-26 — — EP disclosed
US-8357712-B2 — — 2013-01-22 — — US disclosed
WO-2012155199-A1 AMINE DERIVATIVES AS POTASSIUM CHANNEL BLOCKERS BIONOMICS LIMITED (AU) 2012-11-22 — — WO disclosed
EP-2524912-A1 Amine derivatives Bionomics Limited (AU) 2012-11-21 — — EP disclosed
US-8242153-B2 4,5-dihydro-oxazol-2YL derivatives HOFFMANN-LA ROCHE INC. (US) 2012-08-14 — — US disclosed
US-20120165294-A1 4,5-DIHYDRO-OXAZOL-2YL DERIVATIVES GALLEY GUIDO (DE) 2012-06-28 — — US disclosed
US-20110144333-A1 4,5-DIHYDRO-OXAZOL-2YL DERIVATIVES GALLEY GUIDO 2011-06-16 — — US disclosed
US-20100041686-A1 4,5-DIHYDRO-OXAZOL-2YL DERIVATIVES HOFFMANN-LA ROCHE, INC. 2010-02-18 — — US disclosed
US-20100029589-A1 4,5-DIHYDRO-OXAZOL-2YL DERIVATIVES HOFFMANN-LA ROCHE INC. 2010-02-04 — — 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 (8 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-20110144333-A1 4,5-DIHYDRO-OXAZOL-2YL DERIVATIVES NPY5R, NPY1R, NPY4R TRPA1 272/4885AOC3 744/4885HTT 934/4885
US-20170088519-A1 AMINE DERIVATIVES AS POTASSIUM CHANNEL BLOCKERS KCNA3, KCNH3, KCNK3 TRPA1 59/4885AOC3 676/4885HTT 1280/4885
US-20100029589-A1 4,5-DIHYDRO-OXAZOL-2YL DERIVATIVES NPY5R, NPY1R, NPY4R TRPA1 272/4885AOC3 744/4885HTT 934/4885
US-20180273476-A1 AMINE DERIVATIVES AS POTASSIUM CHANNEL BLOCKERS KCNA3, KCNH3, KCNK3 TRPA1 59/4885AOC3 676/4885HTT 1280/4885
US-20170362151-A1 COMPOSITIONS AND METHODS FOR REDUCTION OF KETONES, ALDEHYDES AND IMINIUMS, AND PRODUCTS PRODUCED THEREBY ADH1A, ADH1C, ADH5 TRPA1 3626/4885AOC3 83/4885HTT 1128/4885
US-20100041686-A1 4,5-DIHYDRO-OXAZOL-2YL DERIVATIVES NPY5R, NPY1R, NPY4R TRPA1 272/4885AOC3 744/4885HTT 934/4885
US-20120165294-A1 4,5-DIHYDRO-OXAZOL-2YL DERIVATIVES NPY5R, NPY1R, NPY4R TRPA1 272/4885AOC3 744/4885HTT 934/4885
US-20150299184-A1 Amine Derivatives as Potassium Channel Blockers KCNA3, KCNH3, KCNK3 TRPA1 59/4885AOC3 676/4885HTT 1280/4885

“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.