SCHEMBL6309997

SCHEMBL6309997

Cc1ccc(C(=O)O[C@H](C(=O)O)[C@@H](OC(=O)c2ccc(C)cc2)C(=O)O)cc1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.68
TSHR P16473 1/20 0.68
TDP1 Q9NUW8 1/20 0.55
ALDH1A1 P00352 3/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
PKM P14618 1/20 0.49
APEX1 P27695 1/20 0.49
CYP2C19 P33261 1/20 0.49
BLM P54132 1/20 0.49
HSD17B10 Q99714 1/20 0.49
RECQL P46063 1/20 0.49
NPSR1 Q6W5P4 1/20 0.48
CYP2D6 P10635 1/20 0.47
CES2 O00748 2/20 0.46
CES1 P23141 2/20 0.46
LMNA P02545 1/20 0.46
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
PDCD1 Q15116 1/20 0.46
CD274 Q9NZQ7 1/20 0.46

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
SCHEMBL72171 1.00 TP53 (0.68) TP53TSHRTDP1ALDH1A1SMN1; SMN2
SCHEMBL938198 1.00 TP53 (0.68) TP53TSHRTDP1ALDH1A1SMN1; SMN2
SCHEMBL57818 1.00 TP53 (0.68) TP53TSHRTDP1ALDH1A1SMN1; SMN2
SCHEMBL29777001 1.00 TP53 (0.68) TP53TSHRTDP1ALDH1A1SMN1; SMN2
SCHEMBL6532887 1.00 TP53 (0.68) TP53TSHRTDP1ALDH1A1SMN1; SMN2
SCHEMBL72682 1.00 TP53 (0.68) TP53TSHRTDP1ALDH1A1SMN1; SMN2
SCHEMBL883098 1.00 TP53 (0.68) TP53TSHRTDP1ALDH1A1SMN1; SMN2
Hydrochloric Acid SCHEMBL19279013 0.98 TP53 (0.66) TP53TSHRTDP1ALDH1A1SMN1; SMN2
Water SCHEMBL1322822 0.98 TP53 (0.66) TP53TSHRTDP1ALDH1A1SMN1; SMN2
Water SCHEMBL743190 0.98 TP53 (0.66) TP53TSHRTDP1ALDH1A1SMN1; SMN2

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-20050267150-A1 Cycloalkyl, lactam, lactone and related compounds, pharmaceutical compositions comprising same, and methods for inhibiting beta-amyloid peptide release and/or its synthesis by use of such compounds THOMPSON RICHARD C 2005-12-01 US disclosed
US-20050192269-A1 Cycloalkyl, lactam, lactone and related compounds, pharmaceutical compositions comprising same, and methods for inhibiting beta-amyloid peptide release and/or its synthesis by use of such compounds THOMPSON RICHARD C (US) 2005-09-01 US disclosed
US-20050192265-A1 Cycloalkyl, lactam, lactone and related compounds, pharmaceutical compositions comprising same, and methods for inhibiting beta-amyloid peptide release and/or its synthesis by use of such compounds THOMPSON RICHARD C (US) 2005-09-01 US disclosed
US-6906056-B2 Cycloalkyl, lactam, lactone and related compounds, pharmaceutical compositions comprising same, and methods for inhibiting β-amyloid peptide release and/or its synthesis by use of such compounds ELAN PHARMACEUTICALS, INC. (US) 2005-06-14 US disclosed
US-20040106598-A1 Cycloalkyl, lactam, lactone and related compounds, pharmaceutical compositions comprising same, and methods for inhibiting Beta-amyloid peptide release and/or its synthesis by use of such compounds THOMPSON RICHARD C (US) 2004-06-03 US disclosed
US-6569851-B1 Treating Alzheimer's disease ELAN PHARMACEUTIALS, INC. 2003-05-27 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 (4 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-20050267150-A1 Cycloalkyl, lactam, lactone and related compounds, pharmaceutical compositions comprising same, and methods for inhibiting beta-amyloid peptide release and/or its synthesis by use of such compounds BACE1, APP, BACE2 TP53 2216/4885TSHR 4590/4885TDP1 1924/4885
US-20050192265-A1 Cycloalkyl, lactam, lactone and related compounds, pharmaceutical compositions comprising same, and methods for inhibiting beta-amyloid peptide release and/or its synthesis by use of such compounds BACE1, APP, BACE2 TP53 2216/4885TSHR 4590/4885TDP1 1924/4885
US-20040106598-A1 Cycloalkyl, lactam, lactone and related compounds, pharmaceutical compositions comprising same, and methods for inhibiting Beta-amyloid peptide release and/or its synthesis by use of such compounds BACE1, APP, BACE2 TP53 2157/4885TSHR 4532/4885TDP1 1767/4885
US-20050192269-A1 Cycloalkyl, lactam, lactone and related compounds, pharmaceutical compositions comprising same, and methods for inhibiting beta-amyloid peptide release and/or its synthesis by use of such compounds BACE1, APP, BACE2 TP53 2216/4885TSHR 4590/4885TDP1 1924/4885

“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.