SCHEMBL3004471

SCHEMBL3004471

CC(C)(C)OC(=O)NC(Cc1ccccc1)C(=O)NN

nearest known ligand 0.71

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CTSS P25774 11/20 0.71
CTSK P43235 10/20 0.71
CTSB P07858 4/20 0.71
CTSL P07711 2/20 0.71
AKT1 P31749 1/20 0.61
ACE P12821 1/20 0.61
REN P00797 2/20 0.59
ATM Q13315 1/20 0.56
HDAC8 Q9BY41 1/20 0.55
KMT2A Q03164 1/20 0.55

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
SCHEMBL5556757 1.00 CTSS (0.71) CTSSCTSKCTSBCTSLAKT1
SCHEMBL3004474 1.00 CTSS (0.71) CTSSCTSKCTSBCTSLAKT1
SCHEMBL5556502 0.94 CTSS (0.73) CTSSCTSKCTSBCTSLAKT1
SCHEMBL11375901 0.93 CTSS (0.63) CTSSCTSKCTSBCTSLAKT1
SCHEMBL16576489 0.91 CTSS (0.60) CTSSCTSKCTSBCTSLAKT1
SCHEMBL16570633 0.91 CTSS (0.60) CTSSCTSKCTSBCTSLAKT1
SCHEMBL18064452 0.91 CTSS (0.60) CTSSCTSKCTSBCTSLAKT1
SCHEMBL16576541 0.89 CTSS (0.61) CTSSCTSKCTSBCTSLAKT1
SCHEMBL16576480 0.89 CTSS (0.66) CTSSCTSKCTSBCTSLAKT1
SCHEMBL6161119 0.88 CTSS (0.70) CTSSCTSKCTSBCTSLAKT1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2018047143-A1 VISTA SIGNALING PATHWAY INHIBITORY COMPOUNDS USEFUL AS IMMUNOMODULATORS AURIGENE DISCOVERY TECHNOLOGIES LIMITED (IN) 2018-03-15 WO disclosed
EP-2861581-B9 1,2,3,4-Tetrahydroisoquinoline-pyrrolidine derivatives as antagonists of apoptosis (IAPs) for the treatment of cancer. BRISTOL MYERS SQUIBB CO (US) 2017-08-30 EP disclosed
EP-2861581-B1 1,2,3,4-Tetrahydroisoquinoline-pyrrolidine derivatives as antagonists of apoptosis (IAPs) for the treatment of cancer. BRISTOL MYERS SQUIBB CO (US) 2017-02-01 EP disclosed
EP-2152664-B1 DIPEPTIDE ANALOGS AS COAGULATION FACTOR INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2014-09-03 EP disclosed
US-8367709-B2 Dipeptide analogs as coagulation factor inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2013-02-05 US disclosed
US-20100173899-A1 DIPEPTIDE ANALOGS AS COAGULATION FACTOR INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2010-07-08 US disclosed
EP-1826199-A1 Modified amino acids Technische Universität Wien (AT) 2007-08-29 EP 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-20100173899-A1 DIPEPTIDE ANALOGS AS COAGULATION FACTOR INHIBITORS F11, TFPI, SERPINC1 CTSS 630/4885CTSK 280/4885CTSB 590/4885

“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.