SCHEMBL4424912

SCHEMBL4424912

CC(C)(C)OC(=O)NCc1cc2cc(C(=O)O)ccc2o1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TBXAS1 P24557 1/20 0.45
HDAC6 Q9UBN7 1/20 0.43
KDM4A O75164 1/20 0.42
TP53 P04637 1/20 0.40
MAPT P10636 3/20 0.39
ALDH1A1 P00352 2/20 0.39
KDM4E B2RXH2 1/20 0.39
GLA P06280 1/20 0.39
GAA P10253 1/20 0.39
HPGD P15428 1/20 0.39
HIF1A Q16665 1/20 0.39
HDAC1 Q13547 1/20 0.39
ACACB O00763 1/20 0.39
ACACA Q13085 1/20 0.39
BRD4 O60885 1/20 0.39
NPSR1 Q6W5P4 1/20 0.38
EPHX2 P34913 3/20 0.38
MTNR1A P48039 1/20 0.37
MTNR1B P49286 1/20 0.37
F2 P00734 1/20 0.37

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
SCHEMBL18397902 0.85 LOXL2 (0.44) KDM4ATP53MAPTALDH1A1KDM4E
SCHEMBL6485858 0.83 TBXAS1 (0.43) TBXAS1HDAC6TP53MAPTALDH1A1
SCHEMBL3512251 0.82 KDM4A (0.54) KDM4ATP53MAPTALDH1A1KDM4E
SCHEMBL30344871 0.82 ALDH1A1 (0.39) KDM4AMAPTALDH1A1KDM4EGLA
SCHEMBL15862351 0.78 EPHX2 (0.51) HDAC6KDM4AMAPTHDAC1BRD4
SCHEMBL19079911 0.78 PRMT5 (0.55) HDAC6KDM4AMAPTALDH1A1KDM4E
SCHEMBL16790458 0.77 EPHX2 (0.48) HDAC6KDM4AMAPTHDAC1ACACB
SCHEMBL25155268 0.76 ALDH1A1 (0.38) KDM4AMAPTALDH1A1KDM4EGLA
SCHEMBL30344243 0.76 ALDH1A1 (0.38) KDM4AMAPTALDH1A1KDM4EGLA
SCHEMBL2901877 0.76 TBXAS1 (0.47) TBXAS1HDAC6TP53KDM4EF2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1682538-A4 BIARYL LINKED HYDROXAMATES: PREPARATION AND PHARMACEUTICAL APPLICATIONS S BIO PTE LTD (SG) 2009-05-27 EP disclosed
US-20070167499-A1 Biaryl linked hydroxamates: preparation and pharmaceutical applications A*BIO PTE LTD. (SG) 2007-07-19 US disclosed
US-20070167499-A1 Biaryl linked hydroxamates: preparation and pharmaceutical applications A*BIO PTE LTD. (SG) 2007-07-19 US disclosed
EP-1682538-A1 BIARYL LINKED HYDROXAMATES: PREPARATION AND PHARMACEUTICAL APPLICATIONS S*Bio Pte Ltd (SG) 2006-07-26 EP disclosed
WO-2005040161-A1 BIARYL LINKED HYDROXAMATES: PREPARATION AND PHARMACEUTICAL APPLICATIONS S*BIO PTE LTD (SG) 2005-05-06 WO disclosed
WO-2005040161-A1 BIARYL LINKED HYDROXAMATES: PREPARATION AND PHARMACEUTICAL APPLICATIONS S*BIO PTE LTD (SG) 2005-05-06 WO disclosed
EP-0858454-B1 COMBINATORIAL SOLID PHASE SYNTHESIS OF A LIBRARY OF BENZOFURAN DERIVATIVES PHARMACIA & UPJOHN SPA (IT) 2001-06-20 EP disclosed
EP-0858454-A1 COMBINATORIAL SOLID PHASE SYNTHESIS OF A LIBRARY OF BENZOFURAN DERIVATIVES PHARMACIA & UPJOHN S.p.A. (IT) 1998-08-19 EP disclosed
WO-1997044338-A1 COMBINATORIAL SOLID PHASE SYNTHESIS OF A LIBRARY OF BENZOFURAN DERIVATIVES PHARMACIA & UPJOHN S.P.A. (IT) 1997-11-27 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-20070167499-A1 Biaryl linked hydroxamates: preparation and pharmaceutical applications HDAC1, HDAC11, HDAC2 TBXAS1 1650/4885HDAC6 15/4885KDM4A 177/4885

“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.