Sugi Predict

Sugi Predict / Compounds / SCHEMBL584591

SCHEMBL584591

SCHEMBL584591

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

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ THRB P10828 1/20 0.61
▸ ATM Q13315 1/20 0.61
▸ CYP2D6 P10635 1/20 0.58
▸ KMT2A Q03164 1/20 0.58
▸ IP6K1 Q92551 1/20 0.57
▸ IP6K3 Q96PC2 1/20 0.57
▸ IP6K2 Q9UHH9 1/20 0.57
▸ ESR1 P03372 9/20 0.54
▸ CA12 O43570 2/20 0.53
▸ CA1 P00915 2/20 0.53
▸ CA2 P00918 2/20 0.53
▸ CA9 Q16790 2/20 0.53
▸ HCAR2 Q8TDS4 2/20 0.53
▸ AKR1B10 O60218 1/20 0.53
▸ CA3 P07451 1/20 0.53
▸ PKM P14618 1/20 0.53
▸ TYR P14679 1/20 0.53
▸ AKR1B1 P15121 1/20 0.53
▸ CA4 P22748 1/20 0.53
▸ CA6 P23280 1/20 0.53

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
SCHEMBL584592 1.00 THRB (0.61) THRBATMCYP2D6KMT2AIP6K1
Hydrochloric Acid SCHEMBL27902702 0.98 THRB (0.59) THRBATMCYP2D6KMT2AIP6K1
SCHEMBL7970105 0.95 IP6K1 (0.60) THRBATMCYP2D6KMT2AIP6K1
SCHEMBL7970101 0.95 IP6K1 (0.60) THRBATMCYP2D6KMT2AIP6K1
SCHEMBL2672355 0.89 SRD5A2 (0.50) THRBATMCYP2D6KMT2AIP6K1
SCHEMBL867431 0.89 SRD5A2 (0.50) THRBATMCYP2D6KMT2AIP6K1
SCHEMBL2672350 0.89 SRD5A2 (0.50) THRBATMCYP2D6KMT2AIP6K1
SCHEMBL867432 0.89 SRD5A2 (0.50) THRBATMCYP2D6KMT2AIP6K1
SCHEMBL11211973 0.87 CYP2D6 (0.60) CYP2D6KMT2AIP6K1IP6K3IP6K2
SCHEMBL11211974 0.87 CYP2D6 (0.60) CYP2D6KMT2AIP6K1IP6K3IP6K2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250313539-A1 Alpha, Beta-UNSATURATED AMIDE COMPOUND, AND PREPARATION METHOD THEREFOR, AND PHARMACEUTICAL COMPOSITION AND USE THEREOF KUNMING INSTITUTE OF ZOOLOGY, CHINESE ACADEMY OF SCIENCES (CN) 2025-10-09 — — US disclosed
EP-4553069-A1 ALPHA,ß-UNSATURATED AMIDE COMPOUND, AND PREPARATION METHOD THEREFOR, AND PHARMACEUTICAL COMPOSITION AND USE THEREOF Shanghai Institute of Materia Medica, Chinese Academy of Sciences (CN) 2025-05-14 — — EP disclosed
CN-119790041-A Alpha, beta-unsaturated amide compounds, preparation method, pharmaceutical composition and application thereof 中国科学院上海药物研究所 2025-04-08 — — CN disclosed
CN-118546081-A Cinnamide derivative and application thereof 上海交通大学 2024-08-27 — — CN disclosed
US-11976182-B2 Nucleated polyolefin compositions and methods and uses thereof BRASKEM S.A. (BR) 2024-05-07 — — US disclosed
CN-117402123-A Alpha, beta-unsaturated amide compounds, preparation method, pharmaceutical composition and application thereof 中国科学院上海药物研究所 2024-01-16 — — CN disclosed
CN-116621904-A Cinnamoyl ursodeoxycholic acid compound and preparation method, pharmaceutical composition and application thereof 中国医学科学院药用植物研究所 2023-08-22 — — CN disclosed
CN-116514790-A Tri-aromatic heterocyclic piperazine small molecular organic compound targeting STAT3 and application thereof 华东师范大学 2023-08-01 — — CN disclosed
WO-2023097234-A1 SPIROCYCLIC MODULATORS OF CHOLESTEROL BIOSYNTHESIS AND THEIR USE FOR PROMOTING REMYELINATION GENENTECH, INC. (US) 2023-06-01 — — WO disclosed
US-20230093653-A1 NUCLEATED POLYOLEFIN COMPOSITIONS AND METHODS AND USES THEREOF BRASKEM S.A. (BR) 2023-03-23 — — US disclosed
US-6277502-B1 ORGANOSILICON POLYMERS; LIQUID CRYSALS ROLIC AG (CH) 2001-08-21 — — US disclosed
EP-1056749-A1 NOVEL TRIAZOLO(4,5-d)PYRIMIDINE COMPOUNDS AstraZeneca UK Limited (GB) 2000-12-06 — — EP disclosed
WO-2000071572-A1 SUBSTITUTED BETA-ALANINE DERIVATIVES AS CELL ADHESION INHIBITORS MERCK & CO., INC. (US) 2000-11-30 — — WO disclosed
US-6117881-A POTENT AND SELECTIVE INHIBITORS OF CYCLIC GUANOSINE 3',5'-MONOPHOSPHATE SPECIFIC PHOSPHODIESTERASE ICOS CORPORATION (US) 2000-09-12 — — US disclosed
US-6043252-A A POTENT AND SELECTIVE INHIBITORS OF CYCLIC GUANOSINE 3',5'-MONOPHOSPHATE SPECIFIC PHOSPHODIESTERASE (CGMP-SPECIFIC PDE); TREATING CARDIOVASCULAR DISORDERS AND ERECTILE DYSFUNCTION ICOS CORPORATION (US) 2000-03-28 — — US disclosed
US-RE36625-E Linear and cyclic polymers or oligomers having a photoreactive ethene group ROLIC AG (CH) 2000-03-21 — — US disclosed
WO-1999041254-A1 NOVEL TRIAZOLO(4,5-d)PYRIMIDINE COMPOUNDS ASTRAZENECA UK LIMITED (GB) 1999-08-19 — — WO disclosed
EP-0912567-A1 CARBOLINE DERIVATIVES ICOS CORPORATION (US) 1999-05-06 — — EP disclosed
WO-1997043287-A1 CARBOLINE DERIVATIVES ICOS CORPORATION (US) 1997-11-20 — — WO disclosed
US-5539074-A LIQUID CRYSTAL POLYMERS ON SILICA FOR LIGHT SENSITIVE ELEMENTS HOFFMANN-LA ROCHE INC. (US) 1996-07-23 — — 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-20250313539-A1 Alpha, Beta-UNSATURATED AMIDE COMPOUND, AND PREPARATION METHOD THEREFOR, AND PHARMACEUTICAL COMPOSITION AND USE THEREOF DEGS1, ACAD11, HADHA THRB 3156/4885ATM 3580/4885CYP2D6 2035/4885

“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.