SCHEMBL3378133

SCHEMBL3378133

CC(C)(C)OC(=O)C(N)(C(=O)OCc1ccccc1)c1ccc(/C=C/S(C)(=O)=O)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA12 O43570 5/20 0.41
▸ CA9 Q16790 4/20 0.41
▸ AKR1B10 O60218 3/20 0.41
▸ AKR1B1 P15121 3/20 0.41
▸ CA7 P43166 3/20 0.41
▸ CA14 Q9ULX7 3/20 0.41
▸ CA4 P22748 2/20 0.41
▸ CA6 P23280 2/20 0.41
▸ CA5A P35218 2/20 0.41
▸ CA5B Q9Y2D0 2/20 0.41
▸ LMNA P02545 1/20 0.41
▸ PSMB5 P28074 3/20 0.39
▸ PTPN1 P18031 1/20 0.38
▸ CA1 P00915 3/20 0.36
▸ CA2 P00918 2/20 0.36
▸ TTR P02766 1/20 0.36
▸ HDAC3 O15379 1/20 0.36
▸ HDAC4 P56524 1/20 0.36
▸ HDAC1 Q13547 1/20 0.36
▸ HDAC7 Q8WUI4 1/20 0.36

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
SCHEMBL4689225 0.82 LMNA (0.46) CA12CA9AKR1B10AKR1B1CA7
SCHEMBL9042229 0.82 LMNA (0.46) CA12CA9AKR1B10AKR1B1CA7
SCHEMBL3379309 0.80 SMN1; SMN2 (0.41) CA12CA9PTPN1CA1CA2
SCHEMBL192403 0.79 MAOB (0.50) LMNAHDAC6ALDH1A1MAOBPPARG
SCHEMBL4688233 0.79 PTPN1 (0.41) CA12CA9PTPN1CA1CA2
SCHEMBL4683877 0.74 LTA4H (0.42) PTPN1HDAC3HDAC1HDAC2SYK
SCHEMBL3378137 0.73 SYK (0.44) CA12CA7CA14PSMB5CA1
SCHEMBL3378136 0.73 SYK (0.44) CA12CA7CA14PSMB5CA1
SCHEMBL7561030 0.73 GLA (0.42) SYKALDH1A1HCAR2MAOB
SCHEMBL27696911 0.71 ALDH1A1 (0.50) CA12CA9CA7CA14LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1989186-B1 HYDANTOIN BASED KINASE INHIBITORS HOFFMANN LA ROCHE (CH) 2010-11-17 — — EP disclosed
US-7612212-B2 2-[(S)-2-((S)-2,5-dioxo-4-phenyl-imidazolidin-1-yl)-4-methyl-pentanoylamino]-thiazole-4-carboxylic acid methyl ester; mitogen activated protein/extracellular signal regulated kinase kinase inhibitor; anticarcinogenic agent, cognition activator, nervous and autoimmune system disorders HOFFMANN-LA ROCHE INC. (US) 2009-11-03 — — US disclosed
EP-1989186-A1 HYDANTOIN BASED KINASE INHIBITORS F.HOFFMANN-LA ROCHE AG (CH) 2008-11-12 — — EP disclosed
WO-2008101840-A1 COMBINATION OF ERLOTINIB AND MEK-INHIBITORS FOR INHIBITING PROLIFERATION OF TUMOR CELLS F. HOFFMANN-LA ROCHE AG (CH) 2008-08-28 — — WO disclosed
US-20080207563-A1 METHOD FOR INHIBITING PROLIFERATION OF TUMOR CELLS NIU HUIFENG 2008-08-28 — — US disclosed
WO-2007096259-A1 HYDANTOIN BASED KINASE INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2007-08-30 — — WO disclosed
US-20070197617-A1 Substituted hydantoins CHEN SHAOQING 2007-08-23 — — 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 (2 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-20070197617-A1 Substituted hydantoins HNMT, HRH3, BRAF CA12 2999/4885CA9 2784/4885AKR1B10 2242/4885
US-20080207563-A1 METHOD FOR INHIBITING PROLIFERATION OF TUMOR CELLS MKI67, BRAF, MYC CA12 3654/4885CA9 2224/4885AKR1B10 3363/4885

“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.

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