SCHEMBL2209882

SCHEMBL2209882

COc1ccc(CN(CCP(=O)(C(C)C)C(C)C)C(=O)OC(C)(C)C)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 2/20 0.40
▸ USP2 O75604 1/20 0.40
▸ HDAC1 Q13547 2/20 0.40
▸ HDAC3 O15379 1/20 0.40
▸ HDAC2 Q92769 1/20 0.40
▸ NCOR2 Q9Y618 1/20 0.40
▸ L3MBTL1 Q9Y468 3/20 0.40
▸ ALDH1A1 P00352 4/20 0.39
▸ MEN1 O00255 3/20 0.39
▸ KMT2A Q03164 3/20 0.39
▸ NPSR1 Q6W5P4 2/20 0.39
▸ TDP1 Q9NUW8 3/20 0.39
▸ HTT P42858 2/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ NR1D1 P20393 1/20 0.37
▸ ALOX12 P18054 1/20 0.37
▸ GPR55 Q9Y2T6 1/20 0.37
▸ LPAR1 Q92633 1/20 0.37
▸ LPAR5 Q9H1C0 1/20 0.37
▸ HDAC6 Q9UBN7 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
SCHEMBL2211394 0.85 TSHR (0.48) TSHRUSP2HDAC1L3MBTL1ALDH1A1
SCHEMBL13547362 0.81 SSTR4 (0.49) TSHRUSP2HDAC1HDAC3HDAC2
SCHEMBL29800616 0.81 L3MBTL1 (0.45) TSHRUSP2HDAC1HDAC3HDAC2
SCHEMBL24610141 0.79 ALDH1A1 (0.43) TSHRUSP2HDAC1HDAC3HDAC2
SCHEMBL30574610 0.79 L3MBTL1 (0.46) TSHRUSP2HDAC1HDAC3HDAC2
SCHEMBL29765069 0.79 ALDH1A1 (0.43) TSHRUSP2HDAC1HDAC3HDAC2
SCHEMBL3510728 0.77 TSHR (0.51) TSHRUSP2HDAC1HDAC3HDAC2
SCHEMBL29765190 0.77 HDAC3 (0.40) TSHRUSP2HDAC1HDAC3HDAC2
SCHEMBL23995941 0.77 HDAC3 (0.40) TSHRUSP2HDAC1HDAC3HDAC2
SCHEMBL23995970 0.76 ALDH1A1 (0.45) TSHRUSP2HDAC1HDAC3HDAC2

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 6 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
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 TSHR 1176/4885USP2 2046/4885HDAC1 4/4885

“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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