SCHEMBL179788

SCHEMBL179788

O=C(O)CN(C(=O)O)c1ccc(O)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 2/20 0.43
CAMK2A Q9UQM7 1/20 0.43
ALDH1A1 P00352 1/20 0.41
MLYCD O95822 1/20 0.40
PDK1 Q15118 1/20 0.38
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA3 P07451 1/20 0.38
TYR P14679 1/20 0.38
DRD1 P21728 1/20 0.38
CA4 P22748 1/20 0.38
CA6 P23280 1/20 0.38
CA5A P35218 1/20 0.38
CA7 P43166 1/20 0.38
CA9 Q16790 1/20 0.38
CA14 Q9ULX7 1/20 0.38
CA5B Q9Y2D0 1/20 0.38
LTB4R2 Q9NPC1 1/20 0.38
ESR1 P03372 1/20 0.38
ESR2 Q92731 1/20 0.38

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
SCHEMBL935744 0.84 MLYCD (0.41) CA2CAMK2AALDH1A1MLYCDESR1
SCHEMBL3282238 0.84 CA2 (0.41) CA2CAMK2AALDH1A1MLYCDESR1
SCHEMBL547256 0.83 ALDH1A1 (0.52) ALDH1A1
SCHEMBL3656192 0.82 ALDH1A1 (0.51) CA2CAMK2AALDH1A1PDK1CA12
SCHEMBL6470863 0.81 ESR1 (0.41) ALDH1A1MLYCDLTB4R2ESR1ESR2
SCHEMBL6370928 0.81 LMNA (0.41) CA2CAMK2AALDH1A1MLYCDCA12
SCHEMBL3661402 0.80 ALDH1A1 (0.60) ALDH1A1PDK1LTB4R2ESR1ESR2
SCHEMBL10773101 0.80 CA12 (0.40) CA2MLYCDCA12CA1CA7
SCHEMBL5702149 0.79 ALDH1A1 (0.53) ALDH1A1LTB4R2ESR1ESR2
SCHEMBL11297196 0.78 CA2 (0.46) CA2CAMK2AALDH1A1CA12CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1908850-B1 Target for therapy of cognitive impairment UNIV JOHNS HOPKINS (US) 2012-01-04 EP disclosed
US-20080177061-A1 cephalosporins and derivatives that beneficially modulate expression of genes associated with promoting or preserving cognitive function during aging NATIONAL INSTITUTES OF HEALTH - DIRECTOR DEITR 2008-07-24 US disclosed
EP-1908850-A1 Target for therapy of cognitive impairment The Johns Hopkins University (US) 2008-04-09 EP disclosed
EP-1897959-A1 Target for therapy of cognitive impairment The Johns Hopkins University (US) 2008-03-12 EP disclosed
EP-1567674-A4 TARGET FOR THERAPY OF COGNITIVE IMPAIRMENT UNIV JOHNS HOPKINS (US) 2007-09-26 EP disclosed
EP-1567674-A2 TARGET FOR THERAPY OF COGNITIVE IMPAIRMENT The Johns Hopkins University (US) 2005-08-31 EP disclosed
US-20040191803-A1 Target for therapy of cognitive impairment NATIONAL INSTITUTES OF HEALTH - DIRECTOR DEITR 2004-09-30 US disclosed
WO-2004048551-A2 TARGET FOR THERAPY OF COGNITIVE IMPAIRMENT THE JOHNS HOPKINS UNIVERSITY (US) 2004-06-10 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-20080177061-A1 cephalosporins and derivatives that beneficially modulate expression of genes associated with promoting or preserving cognitive function during aging PSEN2, ANKRD52, PSEN1 CA2 4560/4885CAMK2A 189/4885ALDH1A1 3768/4885

“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.