SCHEMBL5491097

SCHEMBL5491097

COC(=O)c1c(OCC(=O)O)ccc2ccccc12

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSD P07339 2/20 0.64
NCEH1 Q6PIU2 2/20 0.60
ALDH1A1 P00352 4/20 0.59
HPGD P15428 2/20 0.59
KDM4E B2RXH2 1/20 0.59
TDP1 Q9NUW8 1/20 0.59
SMN1; SMN2 Q16637 2/20 0.50
POLB P06746 2/20 0.50
PRNP P04156 2/20 0.48
RXFP1 Q9HBX9 2/20 0.48
GLA P06280 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
CXCR5 P32302 1/20 0.46
PTPN7 P35236 1/20 0.45
LMNA P02545 2/20 0.44
TSHR P16473 1/20 0.44
RAB9A P51151 1/20 0.44
HSD17B10 Q99714 1/20 0.44
OGG1 O15527 1/20 0.43
MEN1 O00255 1/20 0.43

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
SCHEMBL17502589 0.85 NCEH1 (0.63) CTSDNCEH1ALDH1A1KDM4ESMN1; SMN2
SCHEMBL6562825 0.85 ALDH1A1 (0.66) CTSDALDH1A1HPGDKDM4ETDP1
SCHEMBL5503391 0.84 NCEH1 (0.59) CTSDNCEH1ALDH1A1HPGDSMN1; SMN2
SCHEMBL17502610 0.83 NCEH1 (0.60) CTSDNCEH1ALDH1A1HPGDKDM4E
SCHEMBL17502665 0.82 NCEH1 (0.59) CTSDNCEH1TDP1L3MBTL1
SCHEMBL22743797 0.82 NCEH1 (0.59) CTSDNCEH1ALDH1A1HPGDKDM4E
SCHEMBL17502625 0.82 NCEH1 (0.59) CTSDNCEH1ALDH1A1HPGDSMN1; SMN2
SCHEMBL27351383 0.82 NCEH1 (0.59) CTSDNCEH1ALDH1A1HPGDKDM4E
SCHEMBL3915104 0.82 NCEH1 (0.70) CTSDNCEH1ALDH1A1HPGDKDM4E
SCHEMBL17509421 0.81 NCEH1 (0.58) CTSDNCEH1ALDH1A1HPGDKDM4E

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-7157430-B2 (Substituted)acyl dipeptidyl inhibitors of the ICE/CED-3 family of cysteine proteases IDUN PHARMACEUTICALS, INC. (US) 2007-01-02 US disclosed
US-20040259804-A1 (Substituted)Acyl dipeptidyl inhibitors of the ICE/ced-3 family of cysteine proteases IDUN PHARMACEUTICALS, INC. 2004-12-23 US disclosed
US-20020091089-A1 (Substituted)acyl dipeptidyl inhibitors of the ICE/ced-3 family of cysteine proteases KARANEWSKY DONALD S (US) 2002-07-11 US disclosed
EP-1123272-A1 (SUBSTITUTED)ACYL DIPEPTIDYL INHIBITORS OF THE ICE/CED-3 FAMILY OF CYSTEINE PROTEASES Idun Pharmaceuticals, Inc. (US) 2001-08-16 EP disclosed
US-6242422-B1 (Substituted)Acyl dipeptidyl inhibitors of the ice/ced-3 family of cysteine proteases IDUN PHARMACUETICALS, INC. 2001-06-05 US disclosed
WO-2000023421-A1 (SUBSTITUTED)ACYL DIPEPTIDYL INHIBITORS OF THE ICE/ced-3 FAMILY OF CYSTEINE PROTEASES IDUN PHARMACEUTICALS, INC. (US) 2000-04-27 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 (2 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-20020091089-A1 (Substituted)acyl dipeptidyl inhibitors of the ICE/ced-3 family of cysteine proteases DPP3, IAPP, CASP3 CTSD 145/4885NCEH1 710/4885ALDH1A1 2658/4885
US-20040259804-A1 (Substituted)Acyl dipeptidyl inhibitors of the ICE/ced-3 family of cysteine proteases DPP3, IAPP, CASP3 CTSD 145/4885NCEH1 710/4885ALDH1A1 2658/4885

“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.