SCHEMBL158671

SCHEMBL158671

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

nearest known ligand 0.56

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CASP1 P29466 2/20 0.56
CASP3 P42574 2/20 0.56
CASP9 P55211 2/20 0.56
CASP7 P55210 1/20 0.56
CTSK P43235 8/20 0.51
CAPN1 P07384 2/20 0.50
CTSB P07858 2/20 0.50
MMP3 P08254 1/20 0.49
CTSS P25774 2/20 0.48
CTSL P07711 1/20 0.48
PSMB1 P20618 1/20 0.48
BACE1 P56817 1/20 0.48

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
SCHEMBL2744395 0.90 CASP3 (0.68) CASP1CASP3CASP9CASP7CTSK
SCHEMBL7168373 0.88 CASP1 (0.58) CASP1CASP3CASP9CASP7CTSK
SCHEMBL3489141 0.84 CASP1 (0.53) CASP1CASP3CASP9CASP7CTSK
SCHEMBL157170 0.84 CAPN1 (0.47) CASP1CASP3CASP9CASP7CTSK
SCHEMBL4461379 0.83 CASP3 (0.64) CASP1CASP3CASP9CASP7CTSK
SCHEMBL3317466 0.83 CASP3 (0.62) CASP1CASP3CASP9CASP7CTSK
SCHEMBL29818103 0.83 CASP3 (0.64) CASP1CASP3CASP9CASP7CTSK
SCHEMBL2412493 0.83 CTSK (0.69) CTSKCAPN1CTSBCTSSCTSL
SCHEMBL4325080 0.81 CTSK (0.62) CTSKCAPN1CTSBCTSSCTSL
SCHEMBL20543505 0.80 CASP3 (0.58) CASP1CASP3CASP9CASP7CTSK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240207421-A1 NERVE TARGETING PEPTIDES AND METHODS OF USE ALUME BIOSCIENCES INC (US) 2024-06-27 US disclosed
US-20240207422-A1 NERVE TARGETING PEPTIDE CONJUGATES AND METHODS OF USE ALUME BIOSCIENCES INC (US) 2024-06-27 US disclosed
US-20240124523-A1 OPTIMIZED PEPTIDES FOR TARGETING HUMAN NERVES AND THEIR USE IN IMAGE GUIDED SURGERY, DIAGNOSTICS AND THERAPEUTIC DELIVERY THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2024-04-18 US disclosed
US-20240091387-A1 METHODS AND SYSTEMS USING PEPTIDES FOR TARGETING AND MAPPING HUMAN NERVES IN IMAGE GUIDED SURGERY, DIAGNOSTICS AND THERAPEUTIC DELIVERY ALUME BIOSCIENCES INC (US) 2024-03-21 US disclosed
CN-111246873-B Optimized peptides for targeting human nerves and their use in image guided surgery, diagnosis and therapy delivery 加利福尼亚大学董事会 2024-03-01 CN disclosed
US-11802138-B2 Optimized peptides for targeting human nerves and their use in image guided surgery, diagnostic and therapeutic delivery THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2023-10-31 US disclosed
WO-2022120177-A1 NERVE TARGETING PEPTIDES AND METHODS OF USE ALUME BIOSCIENCES, INC. (US) 2022-06-09 WO disclosed
US-11299515-B2 Optimized peptides for targeting human nerves and their use in image guided surgery, diagnostics and therapeutic THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2022-04-12 US disclosed
US-11246940-B2 Peptides whose uptake in cells is controllable THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2022-02-15 US disclosed
US-20210363186-A1 OPTIMIZED PEPTIDES FOR TARGETING HUMAN NERVES AND THEIR USE IN IMAGE GUIDED SURGERY, DIAGNOSTICS AND THERAPEUTIC DELIVERY THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2021-11-25 US disclosed
US-20120134931-A1 PEPTIDES WHOSE UPTAKE IN CELLS IS CONTROLLABLE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2012-05-31 US disclosed
EP-2429565-A2 PEPTIDES AND APTAMERS FOR TARGETING OF NEURON OR NERVES The Regents of the University of California (US) 2012-03-21 EP disclosed
WO-2012031250-A2 COMPOSITIONS FOR LABELING NERVES AND METHODS OF USE AVELAS BIOSCIENCES, NC. (US) 2012-03-08 WO disclosed
EP-2306975-A2 CONTROLLED-RELEASE OTIC STRUCTURE MODULATING AND INNATE IMMUNE SYSTEM MODULATING COMPOSITIONS AND METHODS FOR THE TREATMENT OF OTIC DISORDERS Otonomy, Inc. (US) 2011-04-13 EP disclosed
EP-2296632-A2 CONTROLLED-RELEASE APOPTOSIS MODULATING COMPOSITIONS AND METHODS FOR THE TREATMENT OF OTIC DISORDERS Otonomy, Inc. (US) 2011-03-23 EP disclosed
WO-2010121023-A2 PEPTIDES AND APTAMERS FOR TARGETING OF NEURON OR NERVES THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2010-10-21 WO disclosed
US-20100021416-A1 CONTROLLED-RELEASE OTIC STRUCTURE MODULATING AND INNATE IMMUNE SYSTEM MODULATING COMPOSITIONS AND METHODS FOR THE TREATMENT OF OTIC DISORDERS OTONOMY, INC. (US) 2010-01-28 US disclosed
WO-2010011605-A2 CONTROLLED-RELEASE OTIC STRUCTURE MODULATING AND INNATE IMMUNE SYSTEM MODULATING COMPOSITIONS AND METHODS FOR THE TREATMENT OF OTIC DISORDERS OTONOMY, INC. (US) 2010-01-28 WO disclosed
US-20100016218-A1 CONTROLLED-RELEASE APOPTOSIS MODULATING COMPOSITIONS AND METHODS FOR THE TREATMENT OF OTIC DISORDERS OTONOMY, INC. (US) 2010-01-21 US disclosed
WO-2010008995-A2 CONTROLLED-RELEASE APOPTOSIS MODULATING COMPOSITIONS AND METHODS FOR THE TREATMENT OF OTIC DISORDERS OTONOMY, INC. (US) 2010-01-21 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-20100016218-A1 CONTROLLED-RELEASE APOPTOSIS MODULATING COMPOSITIONS AND METHODS FOR THE TREATMENT OF OTIC DISORDERS BAX, BCL2, AIFM1 CASP1 28/4885CASP3 4/4885CASP9 25/4885
US-20100021416-A1 CONTROLLED-RELEASE OTIC STRUCTURE MODULATING AND INNATE IMMUNE SYSTEM MODULATING COMPOSITIONS AND METHODS FOR THE TREATMENT OF OTIC DISORDERS OTC, TLR3, STING1 CASP1 742/4885CASP3 2149/4885CASP9 2755/4885

“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.