Sugi Predict

Sugi Predict / Compounds / SCHEMBL2208934

SCHEMBL2208934

SCHEMBL2208934

CCOP(=O)(Cc1ccc(C(=O)OC)cn1)OCC

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPK1 P28482 2/20 0.53
▸ KDM4E B2RXH2 1/20 0.50
▸ L3MBTL1 Q9Y468 1/20 0.50
▸ MAPT P10636 4/20 0.41
▸ ALDH1A1 P00352 1/20 0.39
▸ P4HTM Q9NXG6 2/20 0.38
▸ GCK P35557 1/20 0.38
▸ RAB9A P51151 2/20 0.38
▸ KMT2A Q03164 2/20 0.38
▸ NPC1 O15118 1/20 0.38
▸ TDP1 Q9NUW8 1/20 0.37
▸ CA12 O43570 1/20 0.37
▸ CA1 P00915 1/20 0.37
▸ CA2 P00918 1/20 0.37
▸ CA7 P43166 1/20 0.37
▸ CA9 Q16790 1/20 0.37
▸ CA14 Q9ULX7 1/20 0.37
▸ LMNA P02545 1/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ AHR P35869 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
SCHEMBL8670527 0.89 MEN1 (0.47) MAPK1KDM4EL3MBTL1MAPTRAB9A
SCHEMBL31219121 0.86 MAPK1 (0.50) MAPK1KDM4EL3MBTL1MAPTALDH1A1
SCHEMBL2209284 0.86 MAPT (0.53) MAPTALDH1A1P4HTM
SCHEMBL25306670 0.82 ALOX15 (0.40) MAPK1KDM4EL3MBTL1MAPTGCK
SCHEMBL30527451 0.82 ALOX15 (0.40) MAPK1KDM4EL3MBTL1MAPTGCK
SCHEMBL25308608 0.79 CYSLTR1 (0.45) KDM4EMAPTALDH1A1RAB9AKMT2A
SCHEMBL1441132 0.79 MAPK1 (0.61) MAPK1KDM4EL3MBTL1MAPTALDH1A1
SCHEMBL73418 0.78 LOXL2 (0.53) MAPK1KDM4EMAPTALDH1A1RAB9A
SCHEMBL17017353 0.76 KDM4E (0.54) KDM4EL3MBTL1MAPTALDH1A1
SCHEMBL26030510 0.76 MAPK1 (0.57) MAPK1KDM4EL3MBTL1MAPTALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7981874-B2 Phosphorus derivatives as histone deacetylase inhibitors MERCK SHARP & DOHME CORP. (US) 2011-07-19 — — US disclosed
US-7981874-B2 Phosphorus derivatives as histone deacetylase inhibitors MERCK SHARP & DOHME CORP. (US) 2011-07-19 — — US disclosed
US-7981874-B2 Phosphorus derivatives as histone deacetylase inhibitors MERCK SHARP & DOHME CORP. (US) 2011-07-19 — — US disclosed
US-20090270351-A1 PHOSPHORUS DERIVATIVES AS HISTONE DEACETYLASE INHIBITORS MERCK SHARP & DOHME CORP. 2009-10-29 — — US disclosed
US-20090270351-A1 PHOSPHORUS DERIVATIVES AS HISTONE DEACETYLASE INHIBITORS MERCK SHARP & DOHME CORP. 2009-10-29 — — US disclosed
US-20090270351-A1 PHOSPHORUS DERIVATIVES AS HISTONE DEACETYLASE INHIBITORS MERCK SHARP & DOHME CORP. 2009-10-29 — — US disclosed
EP-2049124-A2 PHOSPHORUS DERIVATIVES AS HISTONE DEACETYLASE INHIBITORS Merck & Co., Inc. (US) 2009-04-22 — — EP disclosed
WO-2008010985-A2 PHOSPHORUS DERIVATIVES AS HISTONE DEACETYLASE INHIBITORS MERCK & CO., INC. (US) 2008-01-24 — — 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 (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-20090270351-A1 PHOSPHORUS DERIVATIVES AS HISTONE DEACETYLASE INHIBITORS HDAC5, PPM1A, PTEN MAPK1 674/4885KDM4E 417/4885L3MBTL1 2929/4885

“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.