SCHEMBL4452759

SCHEMBL4452759

Nc1ccc(-c2ccccc2)n(CC(=O)O)c1=O

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.59
KDM4E B2RXH2 8/20 0.59
HSD17B10 Q99714 7/20 0.59
HPGD P15428 5/20 0.59
ELANE P08246 1/20 0.55
L3MBTL1 Q9Y468 3/20 0.49
CTSD P07339 1/20 0.49
BACE1 P56817 1/20 0.49
APEX1 P27695 4/20 0.46
KMT2A Q03164 4/20 0.45
MEN1 O00255 3/20 0.45
GAA P10253 2/20 0.45
GLA P06280 2/20 0.45
RCE1 Q9Y256 1/20 0.45
POLB P06746 3/20 0.44
ALOX15 P16050 2/20 0.44
TSHR P16473 2/20 0.44
RECQL P46063 1/20 0.44
CASP6 P55212 1/20 0.44
PKM P14618 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
SCHEMBL8647999 0.84 KDM4E (0.62) ALDH1A1KDM4EHSD17B10HPGDELANE
SCHEMBL4494789 0.82 KDM4E (0.69) ALDH1A1KDM4EHSD17B10HPGDL3MBTL1
SCHEMBL4479538 0.77 ALDH1A1 (0.55) ALDH1A1KDM4EHSD17B10HPGDL3MBTL1
SCHEMBL6239360 0.77 CMA1 (0.53) KDM4EHSD17B10ELANE
SCHEMBL23460839 0.77 ALDH1A1 (0.48) ALDH1A1KDM4EHSD17B10HPGDL3MBTL1
SCHEMBL6804111 0.76 CMA1 (0.53) KDM4EHSD17B10ELANE
Hydrochloric Acid SCHEMBL6805327 0.76 CMA1 (0.53) KDM4EHSD17B10ELANE
SCHEMBL2801401 0.75 APEX1 (0.44) ALDH1A1KDM4EHSD17B10HPGDAPEX1
SCHEMBL4456432 0.75 APEX1 (0.42) ALDH1A1KDM4EL3MBTL1APEX1KMT2A
SCHEMBL5503526 0.75 KDM4E (0.59) ALDH1A1KDM4EHSD17B10HPGDL3MBTL1

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-20020183249-A1 Method of identifying inhibitors of CDC25 TAYLOR NEIL R (AU) 2002-12-05 US claimed
EP-2123665-A2 Inhibitors of interleukin-1Beta converting enzyme Vertex Pharmaceuticals Incorporated (US) 2009-11-25 EP disclosed
EP-1394175-A1 Inhibitors of interleukin-1beta converting enzyme Vertex Pharmaceuticals Incorporated (US) 2004-03-03 EP disclosed
US-20020183249-A1 Method of identifying inhibitors of CDC25 TAYLOR NEIL R (AU) 2002-12-05 US disclosed
US-6420522-B1 ENZYME INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED 2002-07-16 US disclosed
US-5656627-A USEFUL IN TREATING INFLAMMATORY, AUTOIMMUNE AND NEURODEGENERATIVE DISEASES VERTEX PHARMACEUTICALS, INC. (US) 1997-08-12 US 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-20020183249-A1 Method of identifying inhibitors of CDC25 CDC25C, CDC25A, CDC25B ALDH1A1 4243/4885KDM4E 4246/4885HSD17B10 2458/4885

“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.