SCHEMBL584262

SCHEMBL584262

COc1ccc(/C=C/C(=O)O)cc1F

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.73
ALDH1A1 P00352 3/20 0.73
HPGD P15428 2/20 0.73
HSD17B10 Q99714 2/20 0.73
MAPK1 P28482 2/20 0.73
ALOX15 P16050 1/20 0.73
SMN1; SMN2 Q16637 1/20 0.73
TUBB1 Q9H4B7 6/20 0.66
SNCA P37840 2/20 0.65
PKM P14618 2/20 0.65
CA12 O43570 1/20 0.65
CA1 P00915 1/20 0.65
CA2 P00918 1/20 0.65
CA3 P07451 1/20 0.65
CSNK2A2 P19784 1/20 0.65
CA4 P22748 1/20 0.65
CA6 P23280 1/20 0.65
CA5A P35218 1/20 0.65
CA7 P43166 1/20 0.65
CSNK2B P67870 1/20 0.65

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
SCHEMBL584263 1.00 KDM4E (0.73) KDM4EALDH1A1HPGDHSD17B10MAPK1
Hydrochloric Acid SCHEMBL6818633 0.98 KDM4E (0.71) KDM4EALDH1A1HPGDHSD17B10MAPK1
SCHEMBL28937367 0.89 KDM4E (0.59) KDM4EALDH1A1HPGDHSD17B10MAPK1
SCHEMBL29493348 0.89 KDM4E (0.59) KDM4EALDH1A1HPGDHSD17B10MAPK1
SCHEMBL24164775 0.87 TUBB1 (0.66) KDM4EALDH1A1HPGDHSD17B10MAPK1
SCHEMBL29090925 0.87 TUBB1 (0.66) KDM4EALDH1A1HPGDHSD17B10MAPK1
SCHEMBL1536425 0.87 KDM4E (0.73) KDM4EALDH1A1HPGDHSD17B10MAPK1
SCHEMBL1536424 0.87 KDM4E (0.73) KDM4EALDH1A1HPGDHSD17B10MAPK1
SCHEMBL30548412 0.87 TUBB1 (0.66) KDM4EALDH1A1HPGDHSD17B10MAPK1
SCHEMBL6821280 0.86 EPHX2 (0.66) KDM4EALDH1A1HPGDHSD17B10MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240216357-A1 POLYCYCLIC COMPOUND AND APPLICATION THEREOF SICHUAN HUIYU PHARMACEUTICAL CO., LTD. (CN) 2024-07-04 US disclosed
EP-3538526-B1 CYCLOBUTANE- AND AZETIDINE-CONTAINING MONO AND SPIROCYCLIC COMPOUNDS AS ALPHA V INTEGRIN INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2024-04-10 EP disclosed
CN-117062813-A Polycyclic compound and application thereof 四川汇宇制药股份有限公司 2023-11-14 CN disclosed
US-11639353-B2 Cyclobutanes- and azetidine-containing mono and spirocyclic compounds as αV integrin inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2023-05-02 US disclosed
WO-2022199662-A1 POLYCYCLIC COMPOUND AND APPLICATION THEREOF 四川汇宇制药股份有限公司 2022-09-29 WO disclosed
CN-110139864-B Pyrrole amides as alpha V integrin inhibitors 百时美施贵宝公司 2022-08-23 CN disclosed
CN-110167933-B As αVAzole amides and amines as integrin inhibitors 百时美施贵宝公司 2022-06-21 CN disclosed
CN-110167934-B Cyclobutane-and azetidine-containing monocyclic and spiro compounds as alpha V integrin inhibitors 百时美施贵宝公司 2022-06-10 CN disclosed
US-11292802-B2 Substituted tetrahydropyrrolo[1,2-a]pyrazines as alpha v integrin inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2022-04-05 US disclosed
EP-3707142-B1 PYRROLOPYRAZINE DERIVATIVES AS ALPHA V INTEGRIN INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2021-12-08 EP disclosed
EP-0535250-B1 NOVEL COMPOUNDS AND USE THEREOF AS MEDICINE TSUMURA & CO (JP) 1996-06-19 EP disclosed
EP-0705817-A1 New cannamide derivatives and their use as allergy inhibitors TSUMURA & CO. (JP) 1996-04-10 EP disclosed
US-5484920-A XANTHINE DERIVATIVES KYOWA HAKKO KOGYO CO., LTD. (JP) 1996-01-16 US disclosed
EP-0628311-A1 ANTIDEPRESSANT KYOWA HAKKO KOGYO CO., LTD. (JP) 1994-12-14 EP disclosed
US-5344845-A Methyl 4(4-acetoxy-3-methoxycinnamanide and salts as an immunosuppressive drug for allergic reactions TSUMURA & CO. (JP) 1994-09-06 US disclosed
EP-0590919-A1 Therapeutic agents for parkinson's disease KYOWA HAKKO KOGYO CO., LTD. (JP) 1994-04-06 EP disclosed
EP-0535250-A1 NOVEL COMPOUNDS AND USE THEREOF AS MEDICINE TSUMURA & CO. (JP) 1993-04-07 EP disclosed
US-4310675-A Monoradioiodinated imidazole derivatives BECTON DICKINSON & COMPANY (US) 1982-01-12 US disclosed
US-4202874-A Monoradioiodinated derivatives and precursors for production thereon BECTON DICKINSON & COMPANY (US) 1980-05-13 US disclosed
US-4120867-A Monoradioiodinated phenolic esters, acids and amines BECTON, DICKINSON & COMPANY (US) 1978-10-17 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-11292802-B2 Substituted tetrahydropyrrolo[1,2-a]pyrazines as alpha v integrin inhibitors ITGB1, ITGAV, ITGA1 KDM4E 1937/4885ALDH1A1 364/4885HPGD 1172/4885
US-11639353-B2 Cyclobutanes- and azetidine-containing mono and spirocyclic compounds as αV integrin inhibitors ITGB1, ITGB2, ITGA1 KDM4E 2185/4885ALDH1A1 1029/4885HPGD 2231/4885
US-20240216357-A1 POLYCYCLIC COMPOUND AND APPLICATION THEREOF KDM1A, TET1, KDM3A KDM4E 40/4885ALDH1A1 460/4885HPGD 2127/4885

“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.