SCHEMBL2208632

SCHEMBL2208632

O=C(O)c1ccc(C(CO)CO)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.55
TP53 P04637 1/20 0.55
ANPEP P15144 1/20 0.52
SRD5A2 P31213 4/20 0.48
CA1 P00915 2/20 0.46
CA2 P00918 2/20 0.46
CA12 O43570 1/20 0.46
CA3 P07451 1/20 0.46
TYR P14679 1/20 0.46
DRD1 P21728 1/20 0.46
CA4 P22748 1/20 0.46
CA6 P23280 1/20 0.46
CA5A P35218 1/20 0.46
CA7 P43166 1/20 0.46
CA9 Q16790 1/20 0.46
CA14 Q9ULX7 1/20 0.46
CA5B Q9Y2D0 1/20 0.46
ALDH1A1 P00352 3/20 0.45
ALOX15 P16050 1/20 0.44
TPMT P51580 1/20 0.44

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
SCHEMBL18595241 0.88 HDAC8 (0.53) TSHRTP53ANPEPSRD5A2CA1
SCHEMBL7912571 0.88 TSHR (0.46) TSHRTP53ANPEPSRD5A2CA1
Benzoic Acid SCHEMBL14955665 0.87 TSHR (0.58) TSHRTP53ANPEPSRD5A2CA2
Benzoic Acid SCHEMBL27522254 0.83 TSHR (0.53) TSHRSRD5A2ALDH1A1ALOX15DAO
SCHEMBL13951793 0.80 HDAC8 (0.63) TSHRTP53ANPEPSRD5A2CA1
SCHEMBL6482790 0.80 TSHR (0.52) TSHRTP53ANPEPSRD5A2CA1
SCHEMBL6482793 0.80 TSHR (0.52) TSHRTP53ANPEPSRD5A2CA1
SCHEMBL2656838 0.79 TP53 (0.50) TSHRTP53ALDH1A1
SCHEMBL9988577 0.78 GRIA4 (0.51) TSHRTP53ANPEPSRD5A2CA1
Terephthalic Acid SCHEMBL27461284 0.78 TSHR (0.63) TSHRTP53ANPEPSRD5A2CA1

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 4 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-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 TSHR 1176/4885TP53 324/4885ANPEP 2566/4885

“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.