SCHEMBL2168561

SCHEMBL2168561

CC(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@H](C(=O)N[C@@H](CC(=O)O)C(=O)NCc1cc2ccccc2oc1=O)C(C)C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CASP3 P42574 2/20 0.41
▸ CASP1 P29466 1/20 0.41
▸ CASP7 P55210 1/20 0.41
▸ CASP9 P55211 1/20 0.41
▸ BACE1 P56817 10/20 0.41
▸ BACE2 Q9Y5Z0 3/20 0.41
▸ MMP2 P08253 1/20 0.40
▸ MMP9 P14780 1/20 0.40
▸ ADAM17 P78536 1/20 0.40
▸ PTGER4 P35408 3/20 0.39
▸ CTNNB1 P35222 1/20 0.39
▸ HSPA1A P0DMV8 1/20 0.38
▸ HSPA5 P11021 1/20 0.38
▸ HSPA9 P38646 1/20 0.38
▸ HSPA2 P54652 1/20 0.38
▸ MAOA P21397 1/20 0.38
▸ MAOB P27338 1/20 0.38
▸ CASP6 P55212 1/20 0.38
▸ CASP8 Q14790 1/20 0.38
▸ CTSD P07339 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
SCHEMBL4321426 0.92 BACE1 (0.44) CASP3CASP1CASP7CASP9BACE1
SCHEMBL2157993 0.88 CASP3 (0.57) CASP3CASP1CASP7CASP9PTGER4
SCHEMBL6024083 0.88 MAGI3 (0.42) BACE1MMP2MMP9ADAM17PTGER4
SCHEMBL3366840 0.85 CASP1 (0.51) CASP3CASP1CASP7BACE1BACE2
SCHEMBL4264976 0.80 OPRD1 (0.55) BACE1BACE2
SCHEMBL3370165 0.79 CASP3 (0.46) CASP3CASP1CASP7CASP9PTGER4
SCHEMBL5614017 0.78 MAOB (0.41) CASP3BACE1MMP2MMP9ADAM17
SCHEMBL2157759 0.78 OPRD1 (0.52) BACE1BACE2
SCHEMBL7220733 0.78 TSHR (0.49) CASP1CASP7MMP2MMP9ADAM17
SCHEMBL78393 0.77 CASP3 (0.42) CASP3CASP1CASP7CASP9BACE1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8324177-B2 Triterpene compositions and methods for use thereof RESEARCH DEVELOPMENT FOUNDATION (US) 2012-12-04 — — US disclosed
US-20110294752-A1 TRITERPENE COMPOSITIONS AND METHODS FOR USE THEREOF RESEARCH DEVELOPMENT FOUNDATION (US) 2011-12-01 — — US disclosed
EP-1079824-B1 TRITERPENE COMPOSITIONS AND METHODS FOR USE THEREOF RES DEV FOUNDATION (US) 2011-08-31 — — EP disclosed
US-7985435-B2 Triterpene compositions and methods for use thereof RESEARCH DEVELOPMENT FOUNDATION (US) 2011-07-26 — — US disclosed
WO-2010116375-A1 ISOLATED PEPTIDES FOR REGULATING APOPTOSIS YEDA RESEARCH AND DEVELOPMENT CO. LTD. (IL) 2010-10-14 — — WO disclosed
US-20100189824-A1 TRITERPENE COMPOSITIONS AND METHODS FOR USE THEREOF ARNTZEN CHARLES J 2010-07-29 — — US disclosed
EP-1601764-B1 A CLASS OF METACASPASES VIB VZW (BE) 2010-04-28 — — EP disclosed
US-7670632-B2 Triterpene compositions and methods for use thereof RESEARCH DEVELOPMENT FOUNDATION (US) 2010-03-02 — — US disclosed
EP-1079824-A4 TRITERPENE COMPOSITIONS AND METHODS FOR USE THEREOF RES DEV FOUNDATION (US) 2008-03-12 — — EP disclosed
US-20070271634-A1 Preventing stress-induced apoptosis in plants DICKMAN MARTIN B 2007-11-22 — — US disclosed
WO-2002055016-A2 INHIBITION OF NF-λB BY TRITERPENE COMPOSITIONS RES DEV FOUNDATION (US) 2002-07-18 — — WO disclosed
WO-2000052194-A9 METHODS FOR DETECTING MEMBRANE DERIVED CASPASE ACTIVITY AND MODULATORS THEREOF IDUN PHARMACEUTICALS INC (US) 2002-07-11 — — WO disclosed
US-20020090666-A1 Methods for detecting membrane derived caspase activity and modulators thereof IDUN PHARMACEUTICALS, INC. (US) 2002-07-11 — — US disclosed
WO-2002048329-A2 MEMBRANE DERIVED CASPASE-3, COMPOSITIONS COMPRISING THE SAME AND METHODS OF USE THEREFOR IDUN PHARMACEUTICALS, INC. (US) 2002-06-20 — — WO disclosed
US-6399603-B1 QUINAZOLINES; RETARDING APOPTOSIS IN CELLS; INHIBITING CLEAVAGE OF PROTEIN SUBSTRATES BY CASPASE-3; CHEMICAL AND HYDROLYTIC STABILITY ASTRAZENECA AB (SE) 2002-06-04 — — US disclosed
US-6391575-B1 SCREENING FOR ENZYME INHIBITORS BY CONTACTING MEMBRANE FRACTION WITH SUBSTRATE IN PRESENCE AND ABSENCE OF COMPOUND, THEN COMPARING LEVELS OF SUBSTRATE TURNOVER IDUN PHARMACEUTICALS, INC. 2002-05-21 — — US disclosed
EP-1161556-A2 METHODS FOR DETECTING MEMBRANE DERIVED CASPASE ACTIVITY AND MODULATORS THEREOF Idun Pharmaceuticals, Inc. (US) 2001-12-12 — — EP disclosed
EP-1079824-A1 TRITERPENE COMPOSITIONS AND METHODS FOR USE THEREOF RESEARCH DEVELOPMENT FOUNDATION (a Nevada corporation) (US) 2001-03-07 — — EP disclosed
WO-2000052194-A2 METHODS FOR DETECTING MEMBRANE DERIVED CASPASE ACTIVITY AND MODULATORS THEREOF IDUN PHARMACEUTICALS, INC. (US) 2000-09-08 — — WO disclosed
WO-1999059578-A1 TRITERPENE COMPOSITIONS AND METHODS FOR USE THEREOF RESEARCH DEVELOPMENT FOUNDATION (US) 1999-11-25 — — 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-20110294752-A1 TRITERPENE COMPOSITIONS AND METHODS FOR USE THEREOF OSTC, ACACA, NFATC1 CASP3 14/4885CASP1 553/4885CASP7 79/4885
US-20100189824-A1 TRITERPENE COMPOSITIONS AND METHODS FOR USE THEREOF OSTC, ACACA, NFATC1 CASP3 14/4885CASP1 553/4885CASP7 79/4885

“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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