Sugi Predict

Sugi Predict / Compounds / SCHEMBL3457761

SCHEMBL3457761

SCHEMBL3457761

O=CCc1ccc(/C=C/C(=O)O)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HCAR2 Q8TDS4 2/20 0.59
▸ ESR1 P03372 2/20 0.59
▸ ESR2 Q92731 2/20 0.59
▸ CA12 O43570 2/20 0.59
▸ AKR1B10 O60218 2/20 0.59
▸ CA1 P00915 2/20 0.59
▸ CA2 P00918 2/20 0.59
▸ CA3 P07451 2/20 0.59
▸ AKR1B1 P15121 2/20 0.59
▸ CA4 P22748 2/20 0.59
▸ CA6 P23280 2/20 0.59
▸ DPP4 P27487 2/20 0.59
▸ CA5A P35218 2/20 0.59
▸ CA7 P43166 2/20 0.59
▸ CA9 Q16790 2/20 0.59
▸ CA14 Q9ULX7 2/20 0.59
▸ CA5B Q9Y2D0 2/20 0.59
▸ PKM P14618 1/20 0.59
▸ TYR P14679 1/20 0.59
▸ HDAC3 O15379 3/20 0.57

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
SCHEMBL3457764 1.00 HCAR2 (0.59) HCAR2ESR1ESR2CA12AKR1B10
SCHEMBL2375512 0.85 HCAR2 (0.55) HCAR2ESR1ESR2CA12AKR1B10
SCHEMBL8921111 0.83 TBXAS1 (0.68) HCAR2ESR1ESR2CA12AKR1B10
SCHEMBL14081549 0.82 HCAR2 (0.81) HCAR2ESR1ESR2CA12AKR1B10
SCHEMBL713717 0.82 HCAR2 (0.81) HCAR2ESR1ESR2CA12AKR1B10
SCHEMBL68395 0.82 HCAR2 (0.81) HCAR2ESR1ESR2CA12AKR1B10
SCHEMBL4307999 0.82 HCAR2 (0.66) HCAR2ESR1ESR2CA12AKR1B10
SCHEMBL2300813 0.82 HCAR2 (0.61) HCAR2ESR1ESR2CA12AKR1B10
SCHEMBL27698116 0.82 HCAR2 (0.61) HCAR2ESR1ESR2CA12AKR1B10
SCHEMBL2300815 0.82 HCAR2 (0.61) HCAR2ESR1ESR2CA12AKR1B10

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 17 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108794375-A A kind of pabishta intermediate and its synthesis and application 重庆医科大学 2018-11-13 — — CN disclosed
CN-108752255-A A kind of preparation method of pabishta and its key intermediate 重庆医科大学 2018-11-06 — — CN disclosed
CN-108101827-A A kind of synthetic method of pabishta key intermediate 南京众慧网络科技有限公司 2018-06-01 — — CN disclosed
EP-2069291-B1 HDAC INHIBITORS GLAXOSMITHKLINE IP DEV LTD (GB) 2017-12-20 — — EP disclosed
US-9725407-B2 HDAC inhibitors GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2017-08-08 — — US disclosed
US-9656256-B2 N-heterocyclic carbene type palladium catalyst and its preparation method as well as applications SHANGHAI RESEARCH INSTITUTE OF CHEMICAL INDUSTRY CO., LTD. (CN) 2017-05-23 — — US disclosed
CN-106674079-A Synthesis method of panobinostat 南京卡文迪许生物工程技术有限公司 2017-05-17 — — CN disclosed
CN-106674080-A Synthesis method of panobinostat 南京卡文迪许生物工程技术有限公司 2017-05-17 — — CN disclosed
US-20160175828-A1 N-HETEROCYCLIC CARBENE TYPE PALLADIUM CATALYST AND ITS PREPARATION METHOD AS WELL AS APPLICATIONS SHANGHAI RESEARCH INSTITUTE OF CHEMICAL INDUSTRY CO., LTD. (CN) 2016-06-23 — — US disclosed
US-20160137594-A1 HDAC INHIBITORS CHROMA THERAPEUTICS LTD. (GB) 2016-05-19 — — US disclosed
US-9273003-B2 Methods of treating lymphoma and rheumatoid arthritis with cyclopentyl (2S)-cyclohexyl[({6-[3-(hydroxyamino)-3-oxopropyl]pyridin-3-yl}methyl)amino]acetate GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2016-03-01 — — US disclosed
US-20140323531-A1 HDAC INHIBITORS GLAXOSMITHKLINE IP DEV LTD (GB) 2014-10-30 — — US disclosed
US-8637547-B2 Compounds which inhibit members of the histone deacetylase family of enzymes and their use in the treatment of cell proliferative diseases CHROMA THERAPEUTICS LTD. (GB) 2014-01-28 — — US disclosed
US-20130197042-A1 HDAC INHIBITORS CHROMA THERAPEUTCS, LTD 2013-08-01 — — US disclosed
US-20100010010-A1 HDAC INHIBITORS CHROMA THERAPEUTICS LTD. (GB) 2010-01-14 — — US disclosed
EP-2069291-A1 HDAC INHIBITORS Chroma Therapeutics Limited (GB) 2009-06-17 — — EP disclosed
WO-2008040934-A1 HDAC INHIBITORS CHROMA THERAPEUTICS LTD. (GB) 2008-04-10 — — WO 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 (5 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-20140323531-A1 HDAC INHIBITORS HDAC1, HDAC3, HDAC2 HCAR2 283/4885ESR1 921/4885ESR2 669/4885
US-20100010010-A1 HDAC INHIBITORS HDAC1, HDAC3, HDAC2 HCAR2 279/4885ESR1 908/4885ESR2 681/4885
US-20160137594-A1 HDAC INHIBITORS HDAC1, HDAC11, HDAC2 HCAR2 502/4885ESR1 1047/4885ESR2 516/4885
US-20160175828-A1 N-HETEROCYCLIC CARBENE TYPE PALLADIUM CATALYST AND ITS PREPARATION METHOD AS WELL AS APPLICATIONS DDC, AOC1, GNE HCAR2 1331/4885ESR1 3838/4885ESR2 4276/4885
US-20130197042-A1 HDAC INHIBITORS HDAC1, HDAC3, HDAC2 HCAR2 283/4885ESR1 921/4885ESR2 669/4885

“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.