SCHEMBL84553

SCHEMBL84553

C[C@@H](CN)NC(=O)OC(C)(C)C

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CA2 P00918 3/20 0.53
CA1 P00915 2/20 0.53
CA7 P43166 2/20 0.53
CYP2D6 P10635 1/20 0.47
CTSK P43235 11/20 0.45
CTSS P25774 5/20 0.45
CTSL P07711 1/20 0.43
CTSB P07858 1/20 0.43
CA4 P22748 1/20 0.43
CA9 Q16790 1/20 0.43
KMT2A Q03164 2/20 0.40
MEN1 O00255 1/20 0.40
GAA P10253 1/20 0.40

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
SCHEMBL86157 1.00 CA2 (0.53) CA2CA1CA7CYP2D6CTSK
SCHEMBL272661 1.00 CA2 (0.53) CA2CA1CA7CYP2D6CTSK
Hydrochloric Acid SCHEMBL10594711 0.98 CA2 (0.51) CA2CA1CA7CYP2D6CTSK
Hydrochloric Acid SCHEMBL29197256 0.98 CA2 (0.51) CA2CA1CA7CYP2D6CTSK
Hydrochloric Acid SCHEMBL29408471 0.98 CA2 (0.51) CA2CA1CA7CYP2D6CTSK
SCHEMBL12523040 0.85 CA2 (0.47) CA2CA1CA7CYP2D6CTSK
SCHEMBL18196102 0.85 CA2 (0.47) CA2CA1CA7CYP2D6CTSK
SCHEMBL86237 0.85 CA1 (0.50) CA2CA1CA7CYP2D6CTSK
SCHEMBL86310 0.85 CA1 (0.50) CA2CA1CA7CYP2D6CTSK
SCHEMBL1654201 0.85 CA1 (0.50) CA2CA1CA7CYP2D6CTSK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4731631-A1 BENZAMIDAZOLE DIAZAPINONE PARP INHIBITORS AND METHODS OF USE Valo Health, Inc. (US) 2026-04-29 EP disclosed
US-20260070910-A1 NITROGEN-CONTAINING HETEROCYCLIC AMIDE COMPOUND AND PHARMACEUTICAL USE THEREOF JAPAN TOBACCO INC (JP) 2026-03-12 US disclosed
CN-120904124-B Compound and preparation method and application thereof 德阳悦合生物医药科技有限公司 2026-02-27 CN disclosed
CN-120904124-A Compound and preparation method and application thereof 德阳悦合生物医药科技有限公司 2025-11-07 CN disclosed
EP-4031542-B1 SMALL MOLECULE INHIBITORS OF KRAS G12C MUTANT MERCK SHARP & DOHME LLC (US) 2025-10-15 EP disclosed
US-12427146-B2 C-terminal SRC kinase inhibitors InventisBio Co., Ltd. (CN) 2025-09-30 US disclosed
EP-4600247-A2 PD-1/PD-L1 INHIBITORS Gilead Sciences, Inc. (US) 2025-08-13 EP disclosed
US-12384797-B2 Thioeno[3,2-b] pyridin-7-amine compounds for treating familial dysautonomia PTC THERAPEUTICS, INC. (US) 2025-08-12 US disclosed
US-20250206744-A1 IMIDAZOPYRIDAZINE IL-17 INHIBITOR COMPOUNDS JANSSEN PHARMACEUTICA NV (BE) 2025-06-26 US disclosed
EP-4570805-A1 TRICYCLIC COMPOUNDS AND MEDICAL USE THEREOF Chia Tai Tianqing Pharmaceutical Group Co., Ltd. (CN) 2025-06-18 EP disclosed
WO-2007008144-A1 HETEROCYCLIC SULFONAMIDE DERIVATIVES AS INHIBITORS OF FACTOR XA ASTRAZENECA AB (SE) 2007-01-18 WO disclosed
US-20060199851-A1 Novel compounds that are useful for improving pharmacokinetics ABBVIE INC. 2006-09-07 US disclosed
US-20050250765-A1 Diazepinones as antiviral agents CHO HIDETSURA 2005-11-10 US disclosed
EP-1590317-A1 ENANTIOMER-PURE (4S,8S)- AND (4R, 8R)-4-P-NITROBENZYL-8-METHYL-3, 6, 9-TRIAZA- SP 3 /sp N, SP 6 /SP N, SP 9 /SP N-TRICARBOXYMETHYL-1, 11-UNDECANOIC ACID AND DERIVATIVES THEREOF, METHOD FOR PRODUCING THEM, AND THEIR USE FOR PRODUCING PHARMACEUTICAL AGENTS Schering Aktiengesellschaft (DE) 2005-11-02 EP disclosed
EP-1590005-A1 CONJUGATES OF ENANTIOMER-PURE (4S,8S)- AND (4R,8R)-4-P-BENZYL-8-METHYL-3,6,9-TRIAZA- SP 3 /SP N, SP 6 /SP N, SP 9 /SP N-TRICARBOXYMETHYL-1,11-UNDECANOIC ACID WITH BIOMOLECULES, METHOD FOR THE PRODUCTION THEREOF AND THEIR USE FOR PRODUCING PHARMACEUTICAL AGENTS Schering Aktiengesellschaft (DE) 2005-11-02 EP disclosed
US-20040208828-A1 Enantiomer-pure (4S,8S)- and (4R,8R)-4-p-nitrobenzyl-8-methyl-3,6,9-triaza-3N,6N,9N-tricarboxymethyl-1,11-undecanedioic acid and derivatives thereof, process for their production and use for the production of pharmaceutical agents BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2004-10-21 US disclosed
WO-2004069787-A1 ENANTIOMER-PURE (4S,8S)- AND (4R, 8R)-4-P-NITROBENZYL-8-METHYL-3, 6, 9-TRIAZA-3N, 6N, 9N-TRICARBOXYMETHYL-1, 11-UNDECANOIC ACID AND DERIVATIVES THEREOF, METHOD FOR PRODUCING THEM, AND THEIR USE FOR PRODUCING PHARMACEUTICAL AGENTS SCHERING AKTIENGESELLSCHAFT (DE) 2004-08-19 WO disclosed
WO-2004069282-A1 CONJUGATES OF ENANTIOMER-PURE (4S,8S)- AND (4R,8R)-4-P-BENZYL-8-METHYL-3,6,9-TRIAZA-3N,6N,9N-TRICARBOXYMETHYL-1,11-UNDECANOIC ACID WITH BIOMOLECULES, METHOD FOR THE PRODUCTION THEREOF AND THEIR USE FOR PRODUCING PHARMACEUTICAL AGENTS SCHERING AKTIENGESELLSCHAFT (DE) 2004-08-19 WO disclosed
US-20040116410-A1 Diazepinones as antiviral agents CHO HIDETSURA (JP) 2004-06-17 US disclosed
WO-2002014324-A2 DIAZEPINONES AS ANTIVIRAL AGENTS WARNER-LAMBERT COMPANY (US) 2002-02-21 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 (7 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-20040208828-A1 Enantiomer-pure (4S,8S)- and (4R,8R)-4-p-nitrobenzyl-8-methyl-3,6,9-triaza-3N,6N,9N-tricarboxymethyl-1,11-undecanedioic acid and derivatives thereof, process for their production and use for the production of pharmaceutical agents CYP4B1, CYP2B6, UGT2B7 CA2 1303/4885CA1 2549/4885CA7 130/4885
US-12427146-B2 C-terminal SRC kinase inhibitors CSK, SRC, CSNK1G2 CA2 3212/4885CA1 4224/4885CA7 3086/4885
US-20060199851-A1 Novel compounds that are useful for improving pharmacokinetics CYP11B1, CYP11B2, CYP7A1 CA2 953/4885CA1 1805/4885CA7 1603/4885
US-20050250765-A1 Diazepinones as antiviral agents ZC3HAV1, ECI1, ZC3HAV1L CA2 3287/4885CA1 2495/4885CA7 1623/4885
US-12384797-B2 Thioeno[3,2-b] pyridin-7-amine compounds for treating familial dysautonomia SF3B5, SF3B2, SF3B1 CA2 4657/4885CA1 4838/4885CA7 4739/4885
US-20250206744-A1 IMIDAZOPYRIDAZINE IL-17 INHIBITOR COMPOUNDS IL17A, IL23R, IL15 CA2 4099/4885CA1 4430/4885CA7 2443/4885
US-20260070910-A1 NITROGEN-CONTAINING HETEROCYCLIC AMIDE COMPOUND AND PHARMACEUTICAL USE THEREOF PC, CS, IDH2 CA2 410/4885CA1 534/4885CA7 1095/4885

“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.