SCHEMBL5669246

SCHEMBL5669246

Cn1c(C(=O)NCC(=O)O)cc2ccccc21

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 1/20 0.62
MEN1 O00255 2/20 0.59
KMT2A Q03164 2/20 0.59
L3MBTL1 Q9Y468 1/20 0.59
HDAC1 Q13547 2/20 0.58
HDAC2 Q92769 1/20 0.58
NPC1 O15118 1/20 0.56
RAB9A P51151 1/20 0.56
PLA2G10 O15496 1/20 0.54
RXFP1 Q9HBX9 2/20 0.53
PHGDH O43175 1/20 0.53
LMNA P02545 2/20 0.51
TP53 P04637 2/20 0.51
EGFR P00533 1/20 0.51
SRC P12931 1/20 0.51
HDAC3 O15379 1/20 0.51
SLC9A1 P19634 1/20 0.50
GALR3 O60755 1/20 0.49
GAA P10253 1/20 0.49
MAPT P10636 1/20 0.49

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
SCHEMBL3551679 0.86 HDAC1 (0.66) MCL1MEN1KMT2AL3MBTL1HDAC1
SCHEMBL5670116 0.86 HDAC1 (0.56) MCL1MEN1KMT2AL3MBTL1HDAC1
SCHEMBL30174163 0.86 HDAC1 (0.66) MCL1MEN1KMT2AL3MBTL1HDAC1
SCHEMBL30174165 0.86 HDAC1 (0.66) MCL1MEN1KMT2AL3MBTL1HDAC1
SCHEMBL13753351 0.85 MCL1 (0.61) MCL1MEN1KMT2AL3MBTL1HDAC1
SCHEMBL4112508 0.84 MEN1 (0.76) MCL1MEN1KMT2AL3MBTL1HDAC1
SCHEMBL19308452 0.82 HDAC1 (0.65) MCL1MEN1KMT2AL3MBTL1HDAC1
SCHEMBL2382497 0.82 AHR (0.61) MCL1PLA2G10EGFRSRC
SCHEMBL30525414 0.81 MCL1 (0.65) MCL1MEN1KMT2AL3MBTL1HDAC1
SCHEMBL5667856 0.80 HDAC1 (0.48) MCL1MEN1KMT2AL3MBTL1HDAC1

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 29 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1647279-A2 Inhibition of apoptosis using interleukin-1beta-converting enzyme (ICE)/CED-3 family inhibitors Idun Pharmaceuticals, Inc. (US) 2006-04-19 EP disclosed
EP-0929311-B8 INHIBITION OF APOPTOSIS USING INTERLEUKIN-1 beta-CONVERTING ENZYME (ICE)/CED-3 FAMILY INHIBITORS IDUN PHARMACEUTICALS INC (US) 2006-02-01 EP disclosed
EP-1443935-A2 TREATMENT OF INFECTIOUS DISEASE USING INTERLEUKIN-1 BETA CONVERTING ENZYME (ICE)/CED-3 FAMILY INHIBITORS Idun Pharmaceuticals, Inc. (US) 2004-08-11 EP disclosed
US-20040058850-A1 Using caspase inhibitor; antiinflammatory agents IDUN PHARMACEUTICALS, INC. 2004-03-25 US disclosed
US-6693096-B2 SUPPRESSING PROTEASE ACTIVITY IDUN PHARMACEUTICALS, INC. 2004-02-17 US disclosed
US-20030186842-A1 Contacting a cell population with an inhibiting effective amount of a reagent that suppresses the protease activity of at least one member of the interleukin-1beta- converting enzyme (ICE)/CED-3 family IDUN PHARMACEUTICALS, INC. (US) 2003-10-02 US disclosed
US-6610683-B2 Programmed cell death; expansion of hematopoietic cells, for prolonging viability of an organ for transplantation, and maintaining viability of cell lines used in bioproduction IDUN PHARMACEUTICALS, INC. 2003-08-26 US disclosed
US-20030119748-A1 C-terminal modified (N-substituted)-2-indolyl dipeptides as inhibitors of the ice/ced-3 family of cysteine proteases IDUN PHARMACEUTICALS, INC. 2003-06-26 US disclosed
WO-2003032918-A2 TREATMENT OF INFECTIOUS DISEASE USING INTERLEUKIN-1 BETA CONVERTING ENZYME (ICE)/CED-3 FAMILY INHIBITORS IDUN PHARMACEUTICALS, INC. (US) 2003-04-24 WO disclosed
US-6531467-B2 Inhibition of inflammation using interleukin-1β-converting enzyme (ICE)/CED-3 family inhibitors IDUN PHARMACEUTICALS, INC. 2003-03-11 US disclosed
EP-1159291-A1 C-TERMINAL MODIFIED (N-SUBSTITUTED)-2-INDOLYLCARBONYLDIPEPTIDES AS INHIBITORS OF THE ICE/CED-3 FAMILY OF CYSTEINE PROTEASES Idun Pharmaceuticals, Inc. (US) 2001-12-05 EP disclosed
US-20010044415-A1 Inhibition of apoptosis using interleukin-1B-converting enzyme (ICE)/CED-3 family inhibitors FRITZ LAWRENCE C (US) 2001-11-22 US disclosed
EP-0929311-A4 INHIBITION OF APOPTOSIS USING INTERLEUKIN-1 beta-CONVERTING ENZYME (ICE)/CED-3 FAMILY INHIBITORS IDUN PHARMACEUTICALS INC (US) 2001-08-29 EP disclosed
US-6200969-B1 CONTACTING CELLS WITH REAGENT WHICH SUPPRESSES PROTEASE ACTIVITY OF INTERLEUKIN-1.BETA.-CONVERTING ENZYME (ICE)/CED-3 FAMILY, INHIBITING APOPTOSIS IN CELL POPULATION TO EXPANDING OR INCREASING SURVIVAL OF CELL POPULATION IDUN PHARMACEUTICALS, INC. 2001-03-13 US disclosed
US-6184244-B1 C-terminal modified (N-substituted)-2-indolyl dipeptides as inhibitors of the ICE/ced-3 family of cysteine proteases IDUN PHARMACEUTICALS, INC. 2001-02-06 US disclosed
WO-2001000658-A1 C-TERMINAL MODIFIED (N-SUBSTITUTED)-2-INDOLYLCARBONYLDIPEPTIDES AS INHIBITORS OF THE ICE/CED-3 FAMILY OF CYSTEINE PROTEASES IDUN PHARMACEUTICALS, INC. (US) 2001-01-04 WO disclosed
EP-0929311-A1 INHIBITION OF APOPTOSIS USING INTERLEUKIN-1 beta-CONVERTING ENZYME (ICE)/CED-3 FAMILY INHIBITORS Idun Pharmaceuticals, Inc. (US) 1999-07-21 EP disclosed
US-5877197-A C-terminal modified (N-substituted)-2-indolyl dipeptides as inhibitors of the ICE/ced-3 family of cysteine proteases CONATUS PHARMACEUTICALS, INC. 1999-03-02 US disclosed
US-5869519-A USE OF SUCH COMPOSITIONS IN THE TREATMENT OF PATIENTS SUFFERING INFLAMMATORY, AUTOIMMUNE AND NEURODEGENERATIVE DISEASES, FOR THE PREVENTION OF ISCHEMIC INJURY, AND FOR THE PRESERVATION OF ORGANS THAT ARE TO UNDERGO A TRANSPLANTATION IDUN PHARMACEUTICALS, INC. (US) 1999-02-09 US disclosed
WO-1998010778-A1 INHIBITION OF APOPTOSIS USING INTERLEUKIN-1β-CONVERTING ENZYME (ICE)/CED-3 FAMILY INHIBITORS IDUN PHARMACEUTICALS, INC. (US) 1998-03-19 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 (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-20030186842-A1 Contacting a cell population with an inhibiting effective amount of a reagent that suppresses the protease activity of at least one member of the interleukin-1beta- converting enzyme (ICE)/CED-3 family CASP1, SERPINB1, IL1B MCL1 181/4885MEN1 966/4885KMT2A 4640/4885
US-20030119748-A1 C-terminal modified (N-substituted)-2-indolyl dipeptides as inhibitors of the ice/ced-3 family of cysteine proteases CASP3, CASP1, IAPP MCL1 380/4885MEN1 2806/4885KMT2A 4023/4885
US-20040058850-A1 Using caspase inhibitor; antiinflammatory agents CASP1, PYCARD, CASP3 MCL1 234/4885MEN1 1971/4885KMT2A 4460/4885
US-20010044415-A1 Inhibition of apoptosis using interleukin-1B-converting enzyme (ICE)/CED-3 family inhibitors CASP1, IL1B, APAF1 MCL1 19/4885MEN1 2294/4885KMT2A 4108/4885

“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.