SCHEMBL57872

SCHEMBL57872

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

nearest known ligand 0.55

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.55
CA2 P00918 2/20 0.55
CA7 P43166 2/20 0.55
CYP2D6 P10635 1/20 0.49
CTSK P43235 9/20 0.46
CTSS P25774 5/20 0.46
CTSL P07711 1/20 0.44
CTSB P07858 1/20 0.44
TDP1 Q9NUW8 1/20 0.43
KMT2A Q03164 2/20 0.41
MEN1 O00255 1/20 0.41
GAA P10253 1/20 0.41
CA4 P22748 1/20 0.40
CA9 Q16790 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
HTT P42858 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
SCHEMBL69002 1.00 CA1 (0.55) CA1CA2CA7CYP2D6CTSK
SCHEMBL57084 1.00 CA1 (0.55) CA1CA2CA7CYP2D6CTSK
SCHEMBL30070677 1.00 CA1 (0.55) CA1CA2CA7CYP2D6CTSK
L-Alaninol SCHEMBL8185571 0.93 CA2 (0.49) CA1CA2CA7CYP2D6CTSK
SCHEMBL30699401 0.86 CA1 (0.46) CA1CA2CA7CYP2D6CTSK
SCHEMBL31173375 0.86 CA1 (0.46) CA1CA2CA7CYP2D6CTSK
Biphenyl SCHEMBL29216385 0.85 CTSK (0.52) CTSKCTSSCTSLCTSB
SCHEMBL16569009 0.85 CA1 (0.49) CA1CA2CA7CYP2D6CTSK
SCHEMBL22404435 0.85 CA1 (0.49) CA1CA2CA7CYP2D6CTSK
SCHEMBL2388142 0.84 CA1 (0.51) CA1CA2CA7CYP2D6CTSK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2025037054-A1 PROCESS FOR THE PREPARATION OF ANDROGEN RECEPTOR ANTAGONISTS AND INTERMEDIATES THEREOF ORION CORPORATION (FI) 2025-02-20 WO claimed
CN-119390615-A Synthesis method of (S) -2- ((tert-butoxycarbonyl) amino) propyl methanesulfonate 济南泺合医药技术有限公司 2025-02-07 CN claimed
WO-2025019172-A1 ANTIMICROBIAL EXTRACTANT FORMED FROM COPPER-CONTAINING SOURCE CORNING INCORPORATED (US) 2025-01-23 WO claimed
US-20240409535-A1 SOLID FORMS OF 3-((1R,3R)-1-(2,6-DIFLUORO-4-((1-(3-FLUOROPROPYL)AZETIDIN-3-YL)AMINO)PHENYL)-3-METHYL-1,3,4,9-TETRAHYDRO-2H-PYRIDO[3,4-B]INDOL-2-YL)-2,2-DIFLUOROPROPAN-1-OL AND PROCESSES FOR PREPARING FUSED TRICYCLIC COMPOUNDS COMPRISING A SUBSTITUTED PHENYL OR PYRIDINYL MOIETY, INCLUDING METHODS OF THEIR USE GENENTECH, INC. (US) 2024-12-12 US claimed
CN-118792366-A N-Boc-L-alaninol as well as preparation method and application thereof 济南尚博医药股份有限公司 2024-10-18 CN claimed
CN-118020766-A High-dispersion wettability auxiliary agent and application thereof 河北成悦化工有限公司 2024-05-14 CN claimed
JP-4005270-A None JP disclosed
US-20260144795-A1 SPIROMACROCYCLIC OREXIN 2 RECEPTOR AGONISTS H. LUNDBECK A/S (DK) 2026-05-28 US disclosed
WO-2026104998-A1 SUBSTITUTED IMIDAZOPYRIDINE COMPOUND DERIVATIVES AND THEIR PHARMACEUTICAL USE AVELOS THERAPEUTICS INC. (KR) 2026-05-21 WO disclosed
WO-2026104409-A1 MULTIMERIC MANGANESE CONTRAST AGENTS BAYER AKTIENGESELLSCHAFT (DE) 2026-05-21 WO disclosed
WO-2026101924-A1 KRAS MODULATORS ALTEROME THERAPEUTICS, INC. (US) 2026-05-15 WO disclosed
US-12617782-B2 Pyridazinones as PARP7 inhibitors RIBON THERAPEUTICS, INC. (US) 2026-05-05 US disclosed
US-12612414-B2 Nitrile SUMO inhibitors and uses thereof CIT THERAPEUTICS, INC. (US) 2026-04-28 US disclosed
US-5364844-A Hypotensive agents SANKYO COMPANY, LIMITED (JP) 1994-11-15 US disclosed
JP-H045270-A AMINOALKANE DERIVATIVE NIPPON ZOKI PHARMACEUT CO LTD 1992-01-09 JP disclosed
EP-0324993-A1 Sparsomicin (Sc-Rs) compounds having antitumor activity, a process for their preparation and pharmaceutical compositions containing sparsomycin (Sc-Rs) compounds Stichting Katholieke Universiteit (NL) 1989-07-26 EP disclosed
US-4820712-A Sparsomycin (SC-RS) compounds having antitumor activity, a process for their preparation and pharmaceutical compositions containing sparsomycin (SC-RS) compounds STICHTING KATHOLIEKE UNIVERSITEIT (NL) 1989-04-11 US disclosed
EP-0066993-B1 QUINOLINE DERIVATIVES IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1985-01-30 EP disclosed
US-4435405-A 2-(AMINOALKYLTHIO) SUBSTITUTED IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1984-03-06 US disclosed
EP-0066993-A1 Quinoline derivatives IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1982-12-15 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 (4 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-20260144795-A1 SPIROMACROCYCLIC OREXIN 2 RECEPTOR AGONISTS HCRTR2, HCRTR1, CRHR1 CA1 1101/4885CA2 1385/4885CA7 2164/4885
US-12612414-B2 Nitrile SUMO inhibitors and uses thereof SUMO1, SUMO3, PSMB6 CA1 2085/4885CA2 3450/4885CA7 2259/4885
US-12617782-B2 Pyridazinones as PARP7 inhibitors PARP3, PARP2, PARP1 CA1 3079/4885CA2 3117/4885CA7 159/4885
US-20240409535-A1 SOLID FORMS OF 3-((1R,3R)-1-(2,6-DIFLUORO-4-((1-(3-FLUOROPROPYL)AZETIDIN-3-YL)AMINO)PHENYL)-3-METHYL-1,3,4,9-TETRAHYDRO-2H-PYRIDO[3,4-B]INDOL-2-YL)-2,2-DIFLUOROPROPAN-1-OL AND PROCESSES FOR PREPARING FUSED TRICYCLIC COMPOUNDS COMPRISING A SUBSTITUTED PHENYL OR PYRIDINYL MOIETY, INCLUDING METHODS OF THEIR USE TP53, DPYD, FLI1 CA1 3447/4885CA2 3243/4885CA7 3762/4885

“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.