SCHEMBL4795003

SCHEMBL4795003

CC(C)(C)OC(=O)N[C@H](CO)CC#N

nearest known ligand 0.53

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CTSS P25774 15/20 0.50
CTSK P43235 14/20 0.50
CTSL P07711 2/20 0.48
CTSB P07858 2/20 0.48
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CA7 P43166 1/20 0.42

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
SCHEMBL4795008 1.00 CTSS (0.50) CTSSCTSKCTSLCTSBCA1
SCHEMBL5115667 0.87 CTSS (0.57) CTSSCTSKCTSLCTSBCA1
SCHEMBL1722314 0.87 CTSS (0.57) CTSSCTSKCTSLCTSBCA1
SCHEMBL22109892 0.86 CTSK (0.50) CTSSCTSKCTSLCTSBCA1
SCHEMBL25319652 0.84 CTSS (0.48) CTSSCTSKCTSLCTSBCA1
SCHEMBL25319648 0.84 CTSS (0.48) CTSSCTSKCTSLCTSBCA1
SCHEMBL12602587 0.84 CTSK (0.59) CTSSCTSKCTSLCTSBCA1
SCHEMBL9697740 0.84 CTSS (0.52) CTSSCTSKCTSLCTSB
SCHEMBL16839646 0.84 SYK (0.48) CTSSCTSKCTSLCTSBCA1
SCHEMBL31086524 0.84 CYP2D6 (0.50) CTSSCTSKCTSLCTSBCA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4735451-A1 SUBSTITUTED CONDENSED TRICYCLIC AMINE COMPOUNDS AND USES THEREOF AS RAS INHIBITORS Kumquat Biosciences Inc. (US) 2026-05-06 EP disclosed
US-20260028358-A1 SUBSTITUTED HETEROAROMATIC AMINES AND USES THEREOF KUMQUAT BIOSCIENCES INC (US) 2026-01-29 US disclosed
US-20260001889-A1 COMPOSITIONS USEFUL FOR MODULATING SPLICING SKYHAWK THERAPEUTICS INC (US) 2026-01-01 US disclosed
EP-4522622-A1 COMPOSITIONS USEFUL FOR MODULATING SPLICING Skyhawk Therapeutics, Inc. (US) 2025-03-19 EP disclosed
WO-2025007000-A1 SUBSTITUTED CONDENSED TRICYCLIC AMINE COMPOUNDS AND USES THEREOF AS RAS INHIBITORS KUMQUAT BIOSCIENCES INC. (US) 2025-01-02 WO disclosed
US-20240383915-A1 OXAZEPINE COMPOUNDS AND USES THEREOF IN THE TREATMENT OF CANCER GENENTECH, INC. (US) 2024-11-21 US disclosed
EP-4320132-A1 OXAZEPINE COMPOUNDS AND USES THEREOF IN THE TREATMENT OF CANCER Genentech, Inc. (US) 2024-02-14 EP disclosed
WO-2023220439-A1 COMPOSITIONS USEFUL FOR MODULATING SPLICING SKYHAWK THERAPEUTICS, INC. (US) 2023-11-16 WO disclosed
WO-2022216762-A1 OXAZEPINE COMPOUNDS AND USES THEREOF IN THE TREATMENT OF CANCER GENENTECH, INC. (US) 2022-10-13 WO disclosed
US-9422240-B2 Partially saturated nitrogen-containing heterocyclic compound TAISHO PHARMACEUTICAL CO., LTD (JP) 2016-08-23 US disclosed
US-20150175541-A1 PARTIALLY SATURATED NITROGEN-CONTAINING HETEROCYCLIC COMPOUND TAISHO PHARMACEUTICAL CO., LTD (JP) 2015-06-25 US disclosed
US-20080242671-A1 INHIBITORS OF CATHEPSIN S IRM LLC (BM) 2008-10-02 US disclosed
US-7384970-B2 Inhibitors of cathepsin S IRM LLC (BM) 2008-06-10 US disclosed
US-20040248887-A1 Inhibitors of cathepsin S IRM LLC (BM) 2004-12-09 US disclosed
WO-2004084843-A2 INHIBITORS OF CATHEPSIN S IRM LLC (BM) 2004-10-07 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 (6 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-20260001889-A1 COMPOSITIONS USEFUL FOR MODULATING SPLICING SF3B1, SF3A1, SF3B5 CTSS 4634/4885CTSK 4670/4885CTSL 4639/4885
US-20150175541-A1 PARTIALLY SATURATED NITROGEN-CONTAINING HETEROCYCLIC COMPOUND EGLN2, EGLN3, EGLN1 CTSS 4693/4885CTSK 4698/4885CTSL 4823/4885
US-20040248887-A1 Inhibitors of cathepsin S CTSS, CTSB, CTSZ CTSS 1/4885CTSK 9/4885CTSL 11/4885
US-20260028358-A1 SUBSTITUTED HETEROAROMATIC AMINES AND USES THEREOF HRAS, KRAS, BCL6 CTSS 3944/4885CTSK 4500/4885CTSL 3621/4885
US-20080242671-A1 INHIBITORS OF CATHEPSIN S CTSS, CTSB, CTSZ CTSS 1/4885CTSK 9/4885CTSL 11/4885
US-20240383915-A1 OXAZEPINE COMPOUNDS AND USES THEREOF IN THE TREATMENT OF CANCER OXA1L, GRIK4, GRIK5 CTSS 3970/4885CTSK 3197/4885CTSL 2939/4885

“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.