SCHEMBL5667835

SCHEMBL5667835

CC(O)OCc1c(Cl)cccc1Cl

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 2/20 0.42
▸ AKR1B1 P15121 1/20 0.39
▸ ALDH1A1 P00352 4/20 0.39
▸ HTT P42858 1/20 0.39
▸ HPGD P15428 2/20 0.38
▸ OPRK1 P41145 2/20 0.38
▸ POLB P06746 1/20 0.38
▸ TAAR1 Q96RJ0 1/20 0.38
▸ KMT2A Q03164 2/20 0.37
▸ KDM4E B2RXH2 1/20 0.37
▸ PRMT5 O14744 1/20 0.37
▸ WDR77 Q9BQA1 1/20 0.37
▸ ADRB1 P08588 2/20 0.36
▸ ADRB2 P07550 1/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ GAA P10253 1/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ USP2 O75604 1/20 0.35
▸ LMNA P02545 1/20 0.35
▸ CYP1A2 P05177 1/20 0.35

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
SCHEMBL16708451 0.83 SMN1; SMN2 (0.44) SMN1; SMN2AKR1B1ALDH1A1HTTHPGD
SCHEMBL19055337 0.80 SMN1; SMN2 (0.42) SMN1; SMN2AKR1B1ALDH1A1HTTHPGD
SCHEMBL19055367 0.78 SMN1; SMN2 (0.41) SMN1; SMN2AKR1B1ALDH1A1HTTHPGD
SCHEMBL6637109 0.78 AKR1B1 (0.43) SMN1; SMN2AKR1B1ALDH1A1HTTHPGD
SCHEMBL19098941 0.77 SMN1; SMN2 (0.40) SMN1; SMN2AKR1B1ALDH1A1HTTHPGD
SCHEMBL19055368 0.76 SMN1; SMN2 (0.39) SMN1; SMN2ALDH1A1HTTHPGDOPRK1
1,2-Dichlorobenzene SCHEMBL28140034 0.73 LMNA (0.42) ALDH1A1POLBADRB1ADRB2L3MBTL1
SCHEMBL18371908 0.73 SMN1; SMN2 (0.36) SMN1; SMN2AKR1B1ALDH1A1HPGDOPRK1
SCHEMBL2426412 0.72 AKR1B1 (0.43) SMN1; SMN2AKR1B1ALDH1A1HTTHPGD
SCHEMBL15083012 0.72 AKR1B1 (0.43) SMN1; SMN2AKR1B1ALDH1A1HTTHPGD

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 31 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
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
CN-1234038-A C-terminally modified (N-substituted) -2-indolyl dipeptides as inhibitors of ICE/ced-3 class of cysteine proteases IDUN PHARMACEUTICALS INC (US) 1999-11-03 — — CN 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 SMN1; SMN2 3084/4885AKR1B1 2099/4885ALDH1A1 1947/4885
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 SMN1; SMN2 2573/4885AKR1B1 4607/4885ALDH1A1 4494/4885
US-20040058850-A1 Using caspase inhibitor; antiinflammatory agents CASP1, PYCARD, CASP3 SMN1; SMN2 3113/4885AKR1B1 1850/4885ALDH1A1 1942/4885
US-20010044415-A1 Inhibition of apoptosis using interleukin-1B-converting enzyme (ICE)/CED-3 family inhibitors CASP1, IL1B, APAF1 SMN1; SMN2 2550/4885AKR1B1 924/4885ALDH1A1 748/4885

“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.

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