SCHEMBL2684484

SCHEMBL2684484

CCOC(=O)C(NC(C)=O)c1ccc(C(=O)O)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.48
LMNA P02545 1/20 0.46
MAPK1 P28482 2/20 0.43
USP2 O75604 1/20 0.43
ALOX15 P16050 1/20 0.43
TSHR P16473 1/20 0.43
HSD17B10 Q99714 1/20 0.43
MAPT P10636 2/20 0.43
PLA2G4B P0C869 1/20 0.42
ACACB O00763 6/20 0.42
KMT2A Q03164 1/20 0.41
RXRA P19793 1/20 0.41
RXRB P28702 1/20 0.41
ACACA Q13085 1/20 0.41
MMP8 P22894 1/20 0.40
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA9 Q16790 1/20 0.40
ALDH1A1 P00352 1/20 0.40

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
SCHEMBL11841853 0.86 SMN1; SMN2 (0.62) SMN1; SMN2LMNAMAPTKMT2AMMP8
SCHEMBL29401352 0.84 LMNA (0.48) SMN1; SMN2LMNAMAPK1TSHRACACB
SCHEMBL16263469 0.84 LMNA (0.48) SMN1; SMN2LMNAMAPK1TSHRACACB
SCHEMBL16245315 0.84 LMNA (0.48) SMN1; SMN2LMNAMAPK1TSHRACACB
SCHEMBL1931651 0.82 CTSK (0.49) SMN1; SMN2MAPTALDH1A1
SCHEMBL1826234 0.77 ACACB (0.44) SMN1; SMN2LMNAMAPK1ACACBACACA
SCHEMBL11460300 0.75 PTGS1 (0.54) SMN1; SMN2LMNAMAPK1HSD17B10MAPT
SCHEMBL1825082 0.75 SMN1; SMN2 (0.46) SMN1; SMN2MAPK1ACACBKMT2ACA12
SCHEMBL28510565 0.75 SMN1; SMN2 (0.61) SMN1; SMN2LMNATSHRMAPTKMT2A
SCHEMBL10590696 0.74 SMN1; SMN2 (0.49) SMN1; SMN2LMNATSHRMAPTPLA2G4B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1991226-B1 INHIBITORS OF HISTONE DEACETYLASE MERCK SHARP & DOHME (US) 2013-03-20 EP disclosed
EP-1991226-B1 INHIBITORS OF HISTONE DEACETYLASE MERCK SHARP & DOHME (US) 2013-03-20 EP disclosed
US-8168658-B2 Inhibitors of histone deacetylase MERCK SHARP & DOHME CORP. (US) 2012-05-01 US disclosed
US-8168658-B2 Inhibitors of histone deacetylase MERCK SHARP & DOHME CORP. (US) 2012-05-01 US disclosed
US-8168658-B2 Inhibitors of histone deacetylase MERCK SHARP & DOHME CORP. (US) 2012-05-01 US disclosed
US-20090069250-A1 Inhibitors of Histone Deacetylase MERCK SHARP & DOHME LLC 2009-03-12 US disclosed
US-20090069250-A1 Inhibitors of Histone Deacetylase MERCK SHARP & DOHME LLC 2009-03-12 US disclosed
US-20090069250-A1 Inhibitors of Histone Deacetylase MERCK SHARP & DOHME LLC 2009-03-12 US disclosed
EP-1991226-A2 INHIBITORS OF HISTONE DEACETYLASE Merck & Co., Inc. (US) 2008-11-19 EP disclosed
WO-2007100657-A2 INHIBITORS OF HISTONE DEACETYLASE MERCK & CO., INC. (US) 2007-09-07 WO disclosed
WO-2007100657-A2 INHIBITORS OF HISTONE DEACETYLASE MERCK & CO., INC. (US) 2007-09-07 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-20090069250-A1 Inhibitors of Histone Deacetylase HDAC1, HDAC5, HDAC6 SMN1; SMN2 406/4885LMNA 3183/4885MAPK1 1056/4885

“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.