Sugi Predict

Sugi Predict / Compounds / SCHEMBL514074

SCHEMBL514074

SCHEMBL514074

[CH2]C(=O)c1ccc(OC(F)(F)F)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ EPHX2 P34913 3/20 0.53
▸ TRPV1 Q8NER1 4/20 0.51
▸ NPC1 O15118 3/20 0.49
▸ RAB9A P51151 3/20 0.49
▸ FAAH O00519 1/20 0.49
▸ TP53 P04637 1/20 0.48
▸ HPGD P15428 1/20 0.48
▸ SMN1; SMN2 Q16637 1/20 0.48
▸ TDP1 Q9NUW8 1/20 0.47
▸ MMP2 P08253 1/20 0.47
▸ MMP9 P14780 1/20 0.47
▸ MMP8 P22894 1/20 0.47
▸ HDAC3 O15379 1/20 0.46
▸ HDAC1 Q13547 1/20 0.46
▸ HDAC2 Q92769 1/20 0.46
▸ AURKA O14965 1/20 0.46
▸ TPX2 Q9ULW0 1/20 0.46
▸ TLR7 Q9NYK1 2/20 0.45
▸ NR1H4 Q96RI1 1/20 0.45
▸ SLC6A2 P23975 1/20 0.44

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
SCHEMBL2091498 0.84 ALDH1A1 (0.41) EPHX2TRPV1NPC1RAB9AFAAH
SCHEMBL324161 0.83 PARP10 (0.59) EPHX2TRPV1NPC1RAB9AFAAH
SCHEMBL4475347 0.83 NPC1 (0.60) EPHX2TRPV1NPC1RAB9AFAAH
SCHEMBL20015846 0.83 EPHX2 (0.57) EPHX2TRPV1NPC1RAB9AFAAH
SCHEMBL514351 0.82 EPHX2 (0.52) EPHX2TRPV1NPC1RAB9AFAAH
Hydrochloric Acid SCHEMBL3785321 0.82 PARP10 (0.57) EPHX2TRPV1NPC1RAB9AFAAH
Hydrochloric Acid SCHEMBL11888844 0.82 PARP10 (0.57) EPHX2TRPV1NPC1RAB9AFAAH
SCHEMBL7714214 0.81 EPHX2 (0.55) EPHX2TRPV1NPC1RAB9AFAAH
Hydrochloric Acid SCHEMBL3539826 0.81 NPC1 (0.58) EPHX2TRPV1NPC1RAB9AFAAH
SCHEMBL219654 0.81 EPHX2 (0.68) EPHX2TRPV1NPC1RAB9AFAAH

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070049594-A1 Novel compounds and compositions as cathepsin inhibitors AVENTIS PHARMACEUTICALS INC. (US) 2007-03-01 — — US claimed
EP-1383748-A2 NOVEL COMPOUNDS AND COMPOSITIONS AS CATHEPSIN INHIBITORS AXYS PHARMACEUTICALS, INC. (US) 2004-01-28 — — EP claimed
WO-2002051983-A2 NOVEL COMPOUNDS AND COMPOSITIONS AS CATHEPSIN INHIBITORS AXYS PHARMACEUTICALS, INC. (US) 2002-07-04 — — WO claimed
WO-2023210623-A1 HALOALKYL SULFONE ANILIDE COMPOUND AND HERBICIDE CONTAINING SAME 株式会社エス・ディー・エス バイオテック 2023-11-02 — — WO disclosed
CN-104245698-B Nitrogen-containing heterocyclic compound TAKEDA PHARMACEUTICAL CO.,LTD. (JP) 2016-11-30 — — CN disclosed
CN-103906746-B (4-phenylimidazol-2-yl) ethylamine derivatives as sodium channel modulators PFIZER LTD. (GB) 2015-12-09 — — CN disclosed
US-9079878-B2 (4-phenylimidazol-2-yl) ethylamine derivatives useful as sodium channel modulators PFIZER LIMITED (GB) 2015-07-14 — — US disclosed
CN-104245698-A Nitrogen-containing heterocyclic compound TAKEDA PHARMACEUTICAL 2014-12-24 — — CN disclosed
WO-2014184071-A1 MIXTURES OF HALOALKYLSULFONANILIDE DERIVATIVES AND HERBICIDES SYNGENTA LIMITED (GB) 2014-11-20 — — WO disclosed
WO-2014184070-A1 MIXTURES OF HALOALKYLSULFONANILIDE DERIVATIVES AND HERBICIDES SYNGENTA LIMITED (GB) 2014-11-20 — — WO disclosed
US-20140296313-A1 (4-Phenylimidazol-2-yl) Ethylamine Derivatives Useful As Sodium Channel Modulators PFIZER LIMITED (GB) 2014-10-02 — — US disclosed
US-5684015-A ANGIOTENSIN ANTAGONIST AS HYPOTENSIVE AGENTS AND CARDIOVASCULAR DISORDERS MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1997-11-04 — — US disclosed
EP-0702013-A2 Imidazopyridines MERCK PATENT GmbH (DE) 1996-03-20 — — EP disclosed
US-5438063-A Hypotensive agents, cardiac insufficiency, increased intraocular pressure, and CNS disorders MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1995-08-01 — — US disclosed
EP-0657454-A1 Imidazopyridazines being angiotensin II antagonists MERCK PATENT GmbH (DE) 1995-06-14 — — EP disclosed
US-5389642-A Exhibit antagonistic properties toward angiotensin(II); useful for treatment of hypertensioni, aldosteronism, cardiac insufficiency, increased intraocular pressure and disorders of the central nervous system MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1995-02-14 — — US disclosed
EP-0628556-A1 Imidazopyridines MERCK PATENT GmbH (DE) 1994-12-14 — — EP disclosed
EP-0602521-A1 Imidazopyridines MERCK PATENT GmbH (DE) 1994-06-22 — — EP disclosed
US-5242928-A Angiotensin II antagonists MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1993-09-07 — — US disclosed
EP-0547514-A2 Imidazopyridine derivatives with angiotensin-II antagonist properties MERCK PATENT GmbH (DE) 1993-06-23 — — EP 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 (2 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-20070049594-A1 Novel compounds and compositions as cathepsin inhibitors CTSS, CTSB, CTSE EPHX2 1851/4885TRPV1 1858/4885NPC1 37/4885
US-20140296313-A1 (4-Phenylimidazol-2-yl) Ethylamine Derivatives Useful As Sodium Channel Modulators SCN8A, SCN1A, SCN5A EPHX2 4081/4885TRPV1 14/4885NPC1 1769/4885

“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.