Sugi Predict

Sugi Predict / Compounds / SCHEMBL1797240

SCHEMBL1797240

SCHEMBL1797240

COC(=O)/C=C/c1ccc(C(F)(F)F)cc1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 1/20 0.66
▸ HDAC3 O15379 1/20 0.65
▸ ADAM17 P78536 1/20 0.65
▸ HDAC1 Q13547 1/20 0.65
▸ HDAC2 Q92769 1/20 0.65
▸ HDAC10 Q969S8 1/20 0.65
▸ HDAC11 Q96DB2 1/20 0.65
▸ HDAC8 Q9BY41 1/20 0.65
▸ HDAC6 Q9UBN7 1/20 0.65
▸ HDAC5 Q9UQL6 1/20 0.65
▸ CA12 O43570 1/20 0.64
▸ CA1 P00915 1/20 0.64
▸ CA2 P00918 1/20 0.64
▸ TYR P14679 1/20 0.64
▸ CA7 P43166 1/20 0.64
▸ CA9 Q16790 1/20 0.64
▸ CA14 Q9ULX7 1/20 0.64
▸ CYP1A1 P04798 5/20 0.60
▸ CYP1B1 Q16678 5/20 0.60
▸ MAOB P27338 3/20 0.60

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
SCHEMBL1797241 1.00 CYP1A2 (0.66) CYP1A2HDAC3ADAM17HDAC1HDAC2
SCHEMBL5057418 0.85 CA12 (0.84) CYP1A2HDAC3HDAC1HDAC2HDAC8
SCHEMBL71224 0.85 CA12 (0.84) CYP1A2HDAC3HDAC1HDAC2HDAC8
SCHEMBL846211 0.84 CYP1A2 (0.68) CYP1A2CA12CA1CA2TYR
SCHEMBL846210 0.84 CYP1A2 (0.68) CYP1A2CA12CA1CA2TYR
SCHEMBL6030025 0.83 NR1H4 (0.52) CYP1A2HDAC3ADAM17HDAC1HDAC2
SCHEMBL3592842 0.83 NR1H4 (0.52) CYP1A2HDAC3ADAM17HDAC1HDAC2
SCHEMBL7786814 0.83 NR1H4 (0.52) CYP1A2HDAC3ADAM17HDAC1HDAC2
SCHEMBL1689725 0.82 CA12 (0.67) CYP1A2HDAC3ADAM17HDAC1HDAC2
SCHEMBL1689727 0.82 CA12 (0.67) CYP1A2HDAC3ADAM17HDAC1HDAC2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115594686-B Millpulin A derivative, preparation method and medical application thereof 沈阳药科大学 2023-10-13 — — CN claimed
CN-115594686-A Millpuline A derivatives, and preparation method and medical application thereof 沈阳药科大学（CN） 2023-01-13 — — CN claimed
US-20240400579-A1 SPIROCYCLIC MODULATORS OF CHOLESTEROL BIOSYNTHESIS AND THEIR USE FOR PROMOTING REMYELINATION GENENTECH, INC. 2024-12-05 — — US disclosed
EP-4436976-A1 SPIROCYCLIC MODULATORS OF CHOLESTEROL BIOSYNTHESIS AND THEIR USE FOR PROMOTING REMYELINATION Genentech, Inc. (US) 2024-10-02 — — EP disclosed
CN-115594686-B Millpulin A derivative, preparation method and medical application thereof 沈阳药科大学 2023-10-13 — — CN disclosed
WO-2023097234-A1 SPIROCYCLIC MODULATORS OF CHOLESTEROL BIOSYNTHESIS AND THEIR USE FOR PROMOTING REMYELINATION GENENTECH, INC. (US) 2023-06-01 — — WO disclosed
WO-2023097234-A1 SPIROCYCLIC MODULATORS OF CHOLESTEROL BIOSYNTHESIS AND THEIR USE FOR PROMOTING REMYELINATION GENENTECH, INC. (US) 2023-06-01 — — WO disclosed
CN-115594686-A Millpuline A derivatives, and preparation method and medical application thereof 沈阳药科大学（CN） 2023-01-13 — — CN disclosed
US-9585850-B2 Methods of treatment using arylcyclopropylamine compounds DUKE UNIVERSITY (US) 2017-03-07 — — US disclosed
CN-102438970-B Wittig reaction and the light of catalysis prolong reaction BOARD OF REGENTS THE UNIVERSITY OF TEXAS SYSTEM (US) 2015-10-14 — — CN disclosed
US-20150258044-A1 METHODS OF TREATMENT USING ARYLCYCLOPROPYLAMINE COMPOUNDS DUKE UNIVERSITY 2015-09-17 — — US disclosed
EP-1313560-B1 CATALYST FOR AROMATIC C-O, C-N, and C-C BOND FORMATION UNIV YALE (US) 2007-12-19 — — EP disclosed
US-20070259936-A1 Benzimidazole Modulators of VR1 JANSSEN PHARMACEUTICA N.V. (BE) 2007-11-08 — — US disclosed
EP-1313560-A4 CATALYST FOR AROMATIC C-O, C-N, and C-C BOND FORMATION UNIV YALE (US) 2005-02-09 — — EP disclosed
EP-0821674-B1 CYCLIC AMIDINO AGENTS USEFUL AS NITRIC OXIDE SYNTHASE INHIBITORS SEARLE & CO (US) 2003-08-06 — — EP disclosed
EP-1313560-A1 CATALYST FOR AROMATIC C-O, C-N, and C-C BOND FORMATION YALE UNIVERSITY (US) 2003-05-28 — — EP disclosed
US-6562989-B2 Bicyclopentyl iron ligand and transition metal catalyst YALE UNIVERSITY 2003-05-13 — — US disclosed
US-20030008768-A1 Catalyst for aromatic C-O, C-N, and C-C bond formation NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2003-01-09 — — US disclosed
WO-2002011883-A1 CATALYST FOR AROMATIC C-O, C-N, and C-C BOND FORMATION YALE UNIVERSITY (US) 2002-02-14 — — WO disclosed
US-6011028-A Cyclic amidino agents useful as nitric oxide synthase inhibitors G.D. SEARLE & CO. (US) 2000-01-04 — — 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 (3 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-20240400579-A1 SPIROCYCLIC MODULATORS OF CHOLESTEROL BIOSYNTHESIS AND THEIR USE FOR PROMOTING REMYELINATION MAG, NR1H2, PMP22 CYP1A2 1830/4885HDAC3 285/4885ADAM17 4412/4885
US-20150258044-A1 METHODS OF TREATMENT USING ARYLCYCLOPROPYLAMINE COMPOUNDS SNCA, PARK7, PNMT CYP1A2 836/4885HDAC3 1296/4885ADAM17 4619/4885
US-20070259936-A1 Benzimidazole Modulators of VR1 VRK1, VRK2, VIL1 CYP1A2 487/4885HDAC3 1692/4885ADAM17 3955/4885

“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.