Sugi Predict

Sugi Predict / Compounds / SCHEMBL1409906

SCHEMBL1409906

SCHEMBL1409906

CC(C)(C)OC[C@H](NC(=O)OCc1ccccc1)C([O])=O

nearest known ligand 0.60

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ CTSK P43235 9/20 0.60
▸ CTSS P25774 5/20 0.60
▸ CTSL P07711 4/20 0.60
▸ CTSB P07858 3/20 0.54
▸ SYK P43405 1/20 0.52
▸ ALDH1A1 P00352 1/20 0.50
▸ ALOX15 P16050 1/20 0.50
▸ KYNU Q16719 1/20 0.49
▸ PPARA Q07869 1/20 0.49
▸ TACR1 P25103 2/20 0.49
▸ ITGB3 P05106 1/20 0.48
▸ ITGA2B P08514 1/20 0.48

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
SCHEMBL1410812 0.91 CTSK (0.61) CTSKCTSSCTSLCTSBSYK
SCHEMBL607263 0.91 CTSK (0.61) CTSKCTSSCTSLCTSBSYK
SCHEMBL1409909 0.91 CTSK (0.61) CTSKCTSSCTSLCTSBSYK
SCHEMBL29401640 0.90 CTSK (0.63) CTSKCTSSCTSLCTSBSYK
SCHEMBL344381 0.90 CTSK (0.63) CTSKCTSSCTSLCTSBSYK
SCHEMBL344382 0.90 CTSK (0.63) CTSKCTSSCTSLCTSBSYK
SCHEMBL9299480 0.88 CTSK (0.59) CTSKCTSSCTSLCTSBSYK
SCHEMBL13017870 0.88 CTSK (0.59) CTSKCTSSCTSLCTSBSYK
SCHEMBL3647415 0.87 CTSK (0.58) CTSKCTSSCTSLCTSBSYK
SCHEMBL3821264 0.86 CTSK (0.62) CTSKCTSSCTSLCTSBPPARA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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
EP-2295410-A1 HDAC inhibitor Chroma Therapeutics Limited (GB) 2011-03-16 — — EP disclosed
US-20100010010-A1 HDAC INHIBITORS CHROMA THERAPEUTICS LTD. (GB) 2010-01-14 — — 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 (4 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 CTSK 275/4885CTSS 190/4885CTSL 262/4885
US-20100010010-A1 HDAC INHIBITORS HDAC1, HDAC3, HDAC2 CTSK 270/4885CTSS 178/4885CTSL 251/4885
US-20160137594-A1 HDAC INHIBITORS HDAC1, HDAC11, HDAC2 CTSK 1136/4885CTSS 1326/4885CTSL 1338/4885
US-20130197042-A1 HDAC INHIBITORS HDAC1, HDAC3, HDAC2 CTSK 275/4885CTSS 190/4885CTSL 262/4885

“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.