SCHEMBL5833941

SCHEMBL5833941

CC(C)(C)NC(=O)[C@H](Cc1ccc(OCc2ccccc2)cc1)NC(=O)[C@H](Cc1ccncc1)NC(=O)OC(C)(C)C

nearest known ligand 0.60

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
BCL2 P10415 3/20 0.60
REN P00797 1/20 0.58
PSMB10 P40306 5/20 0.54
PTPN1 P18031 2/20 0.54
PSMB1 P20618 10/20 0.53
PSMB9 P28065 9/20 0.53
PSMB5 P28074 9/20 0.53
PSMB8 P28062 8/20 0.53
PSMB2 P49721 4/20 0.53
HDAC8 Q9BY41 1/20 0.53
MCL1 Q07820 1/20 0.52
CTSS P25774 2/20 0.52
CTSL P07711 1/20 0.52
CTSB P07858 1/20 0.52
CTSK P43235 1/20 0.52

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
SCHEMBL5833552 0.92 BCL2 (0.68) BCL2RENPSMB10PTPN1PSMB1
SCHEMBL5833558 0.92 BCL2 (0.68) BCL2RENPSMB10PTPN1PSMB1
SCHEMBL7366740 0.88 PSMB1 (0.62) BCL2PSMB10PTPN1PSMB1PSMB9
SCHEMBL5833943 0.87 MME (0.52) BCL2PSMB10PSMB1PSMB9PSMB5
SCHEMBL5833946 0.87 MME (0.52) BCL2PSMB10PSMB1PSMB9PSMB5
SCHEMBL5833134 0.86 MME (0.50) BCL2RENPSMB10PSMB1PSMB9
SCHEMBL5833138 0.86 MME (0.50) BCL2RENPSMB10PSMB1PSMB9
SCHEMBL5833128 0.84 BCL2 (0.53) BCL2RENPSMB10PTPN1PSMB1
SCHEMBL7355021 0.84 BCL2 (0.53) BCL2RENPSMB10PTPN1PSMB1
SCHEMBL7283532 0.83 MMP9 (0.69) BCL2RENPSMB10PTPN1PSMB1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6989448-B2 Heteroaryl alkyl alpha substituted peptidylamine calcium channel blockers HU LAIN-YEN 2006-01-24 US disclosed
US-20030060419-A1 Heteroaryl alkyl alpha substituted peptidylamine calcium channel blockers HU LAIN-YEN (US) 2003-03-27 US disclosed
US-6469038-B1 CALCIUM CHANNEL BLOCKERS THAT CAN BLOCK N-TYPE CALCIUM CHANNELS AND CAN BE USED TO TREAT STROKE, PAIN, CEREBRAL ISCHEMIA, HEAD TRAUMA, ASTHMA, AMYOTROPIC LATERAL SCLEROSIS, AND EPILEPSY WARNER-LAMBERT COMPANY 2002-10-22 US disclosed
US-6166052-A Heteroaryl alkyl alpha substituted peptidylamine calcium channel blockers WARNER-LAMBERT COMPANY (US) 2000-12-26 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 (1 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-20030060419-A1 Heteroaryl alkyl alpha substituted peptidylamine calcium channel blockers CACNA1C, CACNA1I, CACNA1S BCL2 1044/4885REN 3074/4885PSMB10 855/4885

“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.