SCHEMBL157170

SCHEMBL157170

CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1c[nH]cn1)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](Cc1c[nH]cn1)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)OCc1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CAPN1 P07384 2/20 0.47
MMP3 P08254 1/20 0.47
CTSK P43235 5/20 0.46
CASP3 P42574 3/20 0.46
CASP7 P55210 2/20 0.46
CASP1 P29466 2/20 0.46
CASP9 P55211 2/20 0.46
PTPN1 P18031 1/20 0.45
CTSL P07711 3/20 0.44
CTSS P25774 1/20 0.44

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
SCHEMBL3701348 0.92 CASP3 (0.46) CAPN1MMP3CTSKCASP3CASP7
SCHEMBL31248471 0.92 CAPN1 (0.51) CAPN1MMP3CTSKCASP3CASP7
SCHEMBL19190188 0.90 MMP3 (0.49) CAPN1MMP3CTSKCASP3CASP7
SCHEMBL2034855 0.89 CAPN1 (0.48) CAPN1MMP3CTSKCASP3CASP7
SCHEMBL3491057 0.85 PTPN1 (0.47) CAPN1CTSKCASP3CASP7CASP1
SCHEMBL158671 0.84 CASP1 (0.56) CAPN1MMP3CTSKCASP3CASP7
SCHEMBL1661238 0.83 PTPN1 (0.43) PTPN1
SCHEMBL9961858 0.83 CASP3 (0.65) CASP3CASP7CASP1CASP9CTSL
SCHEMBL7938093 0.82 CAPN1 (0.60) CAPN1CTSKCTSLCTSS
SCHEMBL23133281 0.81 REN (0.48) CAPN1CTSKCTSL

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 52 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
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-11021517-B2 Optimized peptides for targeting human nerves and their use in image guided surgery, diagnostics and therapeutic delivery THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2021-06-01 US disclosed
WO-2012031250-A2 COMPOSITIONS FOR LABELING NERVES AND METHODS OF USE AVELAS BIOSCIENCES, NC. (US) 2012-03-08 WO disclosed
WO-2011049960-A2 COMPOSITIONS AND METHODS FOR THE TREATMENT OF SINONASAL DISORDERS OTONOMY, INC. (US) 2011-04-28 WO disclosed
WO-2011050206-A2 COMPOSITIONS AND METHODS FOR THE TREATMENT OF SINONASAL DISORDERS OTONOMY, INC. (US) 2011-04-28 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
WO-2011008992-A2 PEPTIDES WHOSE UPTAKE IN CELLS IS CONTROLLABLE THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2011-01-20 WO disclosed
WO-2011008996-A2 PEPTIDES WHOSE UPTAKE IN CELLS IS CONTROLLABLE THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2011-01-20 WO 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

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 CAPN1 799/4885MMP3 1223/4885CTSK 1092/4885
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 CAPN1 3457/4885MMP3 1951/4885CTSK 1429/4885

“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.