SCHEMBL2040978

SCHEMBL2040978

CC[C@H](C)[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@H](C(=O)N[C@@H](CC(=O)O)C(=O)C(=O)CF)[C@@H](C)O

nearest known ligand 0.57

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CASP3 P42574 7/20 0.57
CASP1 P29466 4/20 0.57
CASP9 P55211 4/20 0.57
CASP4 P49662 2/20 0.57
CASP5 P51878 2/20 0.57
CASP6 P55212 2/20 0.57
CASP8 Q14790 2/20 0.57
CASP10 Q92851 2/20 0.57
CASP7 P55210 3/20 0.55
CTSB P07858 5/20 0.49
CTSL P07711 3/20 0.49
CTSS P25774 3/20 0.49
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
LMNA P02545 1/20 0.48
PSMB5 P28074 1/20 0.47
CTSK P43235 4/20 0.46
REN P00797 1/20 0.45

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
SCHEMBL2038060 0.95 CASP3 (0.63) CASP3CASP1CASP9CASP4CASP5
SCHEMBL23613622 0.93 CASP3 (0.56) CASP3CASP1CASP9CASP4CASP5
SCHEMBL30541131 0.91 CASP3 (0.61) CASP3CASP1CASP9CASP4CASP5
SCHEMBL7168373 0.89 CASP1 (0.58) CASP3CASP1CASP9CASP7CTSB
SCHEMBL2038936 0.88 CASP3 (0.69) CASP3CASP1CASP9CASP4CASP5
SCHEMBL31248472 0.86 CASP3 (0.63) CASP3CASP1CASP9CASP4CASP5
SCHEMBL15939366 0.86 CASP3 (0.64) CASP3CASP1CASP9CASP4CASP5
SCHEMBL4461379 0.84 CASP3 (0.64) CASP3CASP1CASP9CASP4CASP5
SCHEMBL29449496 0.83 REN (0.52) CASP3CASP1CASP9CASP4CASP5
SCHEMBL28714127 0.83 REN (0.52) CASP3CASP1CASP9CASP4CASP5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10799552-B2 Methods for treating diabetic neurotherapy MASSACHUSETTS EYE AND EAR INFIRMARY (US) 2020-10-13 US disclosed
EP-2560629-B1 METHODS AND COMPOSITIONS FOR PRESERVING PHOTORECEPTOR AND RETINAL PIGMENT EPITHELIAL CELLS MASSACHUSETTS EYE & EAR INFIRMARY (US) 2020-06-03 EP disclosed
US-10639345-B2 Compositions for preserving photoreceptor cells, retinal pigment epithelial cells, or visual function MASSACHUSETTS EYE AND EAR INFIRMARY (US) 2020-05-05 US disclosed
US-10617735-B2 Methods and compositions for preserving retinal ganglion cells MASSACHUSETTS EYE AND EAR INFIRMARY (US) 2020-04-14 US disclosed
US-20190216881-A1 METHODS AND COMPOSITIONS FOR PRESERVING PHOTORECEPTOR AND RETINAL PIGMENT EPITHELIAL CELLS MASSACHUSETTS EYE AND EAR INFIRMARY 2019-07-18 US disclosed
US-20190117724-A1 METHODS FOR TREATING SPINAL CORD INJURY CHILDREN'S MEDICAL CENTER CORPORATION 2019-04-25 US disclosed
US-20190099467-A1 METHODS AND COMPOSITIONS FOR PRESERVING RETINAL GANGLION CELLS MASSACHUSETTS EYE AND EAR INFIRMARY 2019-04-04 US disclosed
US-10149884-B2 Methods and compositions for preserving photoreceptor and retinal pigment epithelial cells MASSACHUSETTS EYE AND EAR INFIRMARY (US) 2018-12-11 US disclosed
US-10022419-B2 Methods for treating spinal cord injury MASSACHUSETTS EYE AND EAR INFIRMARY (US) 2018-07-17 US disclosed
US-9993517-B2 Methods and compositions for preserving retinal ganglion cells MASSACHUSETTS EYE AND EAR INFIRMARY (US) 2018-06-12 US disclosed
US-20110159004-A1 Methods and Compositions for Preserving the Viability of Photoreceptor Cells MASSACHUSETTS EYE AND EAR INFIRMARY 2011-06-30 US disclosed
US-7811832-B2 Methods for preserving the viability of photoreceptor cells by anti-FAS-ligand/anti-FAS-receptor antibodies MASSACHUSETTS EYE AND EAR INFIRMARY (US) 2010-10-12 US disclosed
US-20100074882-A1 METHODS AND COMPOSITIONS FOR PRESERVING THE VIABILITY OF PHOTORECEPTOR CELLS NATIONAL INSTITUTES OF HEALTH - DIRECTOR DEITR 2010-03-25 US disclosed
US-7592330-B2 Methods and compositions for preserving the viability of photoreceptor cells MASSACHUSETTS EYE AND EAR INFIRMARY (US) 2009-09-22 US disclosed
US-20080019909-A1 Modulation of Programmed Necrosis DEPARTMENT OF HEALTH AND HUMAN SERVICES 2008-01-24 US disclosed
US-20070287756-A1 Methods and Compositions for Preserving the Viability of Photoreceptor Cells MASSACHUSETTS EYE AND EAR INFIRMARY 2007-12-13 US disclosed
WO-2007019427-A2 METHODS AND COMPOSITIONS FOR PRESERVING THE VIABILITY OF PHOTORECEPTOR CELLS MASSACHUSETTS EYE & EAR INFIRMARY (US) 2007-02-15 WO disclosed
US-20070032427-A1 Methods and compositions for preserving the viability of photoreceptor cells MASSACHUSETTS EYE AND EAR INFIRMARY 2007-02-08 US disclosed
US-20050129684-A1 Methods and compositions for preserving the viability of photoreceptor cells MASSACHUSETTS EYE AND EAR INFIRMARY 2005-06-16 US disclosed
WO-2003061519-A2 METHODS AND COMPOSITIONS FOR PRESERVING THE VIABILITY OF PHOTORECEPTOR CELLS MASSACHUSETTS EYE AND EAR INFIRMARY (US) 2003-07-31 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 (8 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-20190099467-A1 METHODS AND COMPOSITIONS FOR PRESERVING RETINAL GANGLION CELLS GAP43, PDE6C, NGF CASP3 10/4885CASP1 85/4885CASP9 31/4885
US-10022419-B2 Methods for treating spinal cord injury NGF, GAP43, BDNF CASP3 24/4885CASP1 65/4885CASP9 111/4885
US-20190216881-A1 METHODS AND COMPOSITIONS FOR PRESERVING PHOTORECEPTOR AND RETINAL PIGMENT EPITHELIAL CELLS ALDH1A2, PDE6B, PDE6C CASP3 18/4885CASP1 140/4885CASP9 41/4885
US-10149884-B2 Methods and compositions for preserving photoreceptor and retinal pigment epithelial cells ALDH1A2, PDE6B, PDE6C CASP3 18/4885CASP1 140/4885CASP9 41/4885
US-20190117724-A1 METHODS FOR TREATING SPINAL CORD INJURY NGF, GAP43, BDNF CASP3 24/4885CASP1 65/4885CASP9 111/4885
US-10799552-B2 Methods for treating diabetic neurotherapy NGF, NTRK2, BDNF CASP3 22/4885CASP1 46/4885CASP9 206/4885
US-10617735-B2 Methods and compositions for preserving retinal ganglion cells GAP43, PDE6C, NGF CASP3 10/4885CASP1 85/4885CASP9 31/4885
US-10639345-B2 Compositions for preserving photoreceptor cells, retinal pigment epithelial cells, or visual function ALDH1A2, PDE6B, PDE6A CASP3 33/4885CASP1 205/4885CASP9 70/4885

“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.