SCHEMBL1274536

SCHEMBL1274536

CC(C)(C)OC(=O)NCC(CNC(=O)OC(C)(C)C)C(=O)O

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.66
GAA P10253 1/20 0.66
KMT2A Q03164 1/20 0.66
TDP1 Q9NUW8 1/20 0.46
SYK P43405 1/20 0.43
CTSS P25774 5/20 0.43
CTSK P43235 5/20 0.43
CTSL P07711 1/20 0.43
CTSB P07858 1/20 0.43
AAK1 Q2M2I8 1/20 0.41
CA1 P00915 2/20 0.41
CA2 P00918 2/20 0.41
CA7 P43166 1/20 0.41
SERPINE1 P05121 1/20 0.40
MAOA P21397 1/20 0.40
MAOB P27338 1/20 0.40
KDM4E B2RXH2 1/20 0.39
LMNA P02545 1/20 0.39
APLNR P35414 1/20 0.39
CA12 O43570 1/20 0.38

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
SCHEMBL28560564 0.91 MEN1 (0.60) MEN1GAAKMT2ATDP1SYK
SCHEMBL25407355 0.91 MEN1 (0.60) MEN1GAAKMT2ATDP1SYK
SCHEMBL12901343 0.91 MEN1 (0.60) MEN1GAAKMT2ATDP1SYK
SCHEMBL4755749 0.91 MEN1 (0.60) MEN1GAAKMT2ATDP1SYK
SCHEMBL16798226 0.88 MEN1 (0.57) MEN1GAAKMT2ATDP1SYK
SCHEMBL13109074 0.88 MEN1 (0.57) MEN1GAAKMT2ATDP1SYK
SCHEMBL16798225 0.88 MEN1 (0.57) MEN1GAAKMT2ATDP1SYK
SCHEMBL6242898 0.88 KMT2A (0.57) MEN1GAAKMT2ATDP1SYK
SCHEMBL13109049 0.88 MEN1 (0.61) MEN1GAAKMT2ATDP1SYK
SCHEMBL13109033 0.88 MEN1 (0.61) MEN1GAAKMT2ATDP1SYK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4704830-A2 MRGPRX2 INHIBITORS AND METHODS OF USE THEREOF Septerna, Inc. (US) 2026-03-11 EP disclosed
US-12478696-B2 Gadolinium chelate compounds for use in magnetic resonance imaging BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2025-11-25 US disclosed
US-20250114485-A1 GADOLINIUM CHELATE COMPOUNDS FOR USE IN MAGNETIC RESONANCE IMAGING BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2025-04-10 US disclosed
WO-2024226914-A2 MRGPRX2 ANTAGONISTS AND METHODS OF USE THEREOF SEPTERNA, INC. (US) 2024-10-31 WO disclosed
US-20230113481-A1 NEW GADOLINIUM CHELATE COMPOUNDS FOR USE IN MAGNETIC RESONANCE IMAGING BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2023-04-13 US disclosed
US-20230023559-A1 ARYLMETHYLENE HETEROCYCLIC COMPOUNDS AS KV1.3 POTASSIUM SHAKER CHANNEL BLOCKERS D. E. SHAW RESEARCH, LLC (US) 2023-01-26 US disclosed
US-11491245-B2 Gadolinium chelate compounds for use in magnetic resonance imaging BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2022-11-08 US disclosed
EP-3611169-B1 NEW GADOLINIUM CHELATE COMPOUNDS FOR USE IN MAGNETIC RESONANCE IMAGING Bayer Pharma AG (DE) 2021-07-21 EP disclosed
WO-2021071806-A1 ARYLMETHYLENE HETEROCYCLIC COMPOUNDS AS KV1.3 POTASSIUM SHAKER CHANNEL BLOCKERS D. E. SHAW RESEARCH, LLC (US) 2021-04-15 WO disclosed
CN-107667096-B Novel gadolinium chelate compounds for magnetic resonance imaging 拜耳医药股份公司 2021-02-02 CN disclosed
WO-2006053782-A1 AMIDE AND PEPTIDE DERIVATIVES OF DIALKYLENETRIAMINES AND THEIR USE AS TRANSFECTION AGENTS GLAXO GROUP LIMITED (GB) 2006-05-26 WO disclosed
US-20060039861-A1 Peptide-based multimeric targeted contrast agents EPIX MEDICAL, INC., A DELAWARE CORPORATION 2006-02-23 US disclosed
US-6991775-B2 Peptide-based multimeric targeted contrast agents EPIX MEDICAL, INC. (US) 2006-01-31 US disclosed
US-20050096306-A1 Cephem compounds FUJISAWA PHARMACEUTICAL CO. LTD. (JP) 2005-05-05 US disclosed
US-20050074411-A1 Peptide-based multimeric targeted contrast agents EPIX MEDICAL, INC. A DELAWARE CORPORATION 2005-04-07 US disclosed
CN-1599577-A Peptide-based multimeric targeted contrast media EPIX MEDICAL INC (US) 2005-03-23 CN disclosed
EP-1420681-A2 PEPTIDE-BASED MULTIMERIC TARGETED CONTRAST AGENTS Epix Medical, Inc. (US) 2004-05-26 EP disclosed
US-20030216320-A1 Peptide-based multimeric targeted contrast agents Factor 1A, LLC 2003-11-20 US disclosed
US-20030180222-A1 Peptide-based multimeric targeted contrast agents EPIX PHARMACEUTICALS, INC. 2003-09-25 US disclosed
WO-2003011115-A2 PEPTIDE-BASED MULTIMERIC TARGETED CONTRAST AGENTS EPIX MEDICAL, INC. (US) 2003-02-13 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 (10 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-12478696-B2 Gadolinium chelate compounds for use in magnetic resonance imaging GLRA1, GLRA3, GLRB MEN1 2981/4885GAA 3363/4885KMT2A 3852/4885
US-20030180222-A1 Peptide-based multimeric targeted contrast agents NGLY1, IAPP, NPPA MEN1 41/4885GAA 2063/4885KMT2A 4290/4885
US-20060039861-A1 Peptide-based multimeric targeted contrast agents NGLY1, IAPP, NPPA MEN1 41/4885GAA 2063/4885KMT2A 4290/4885
US-11491245-B2 Gadolinium chelate compounds for use in magnetic resonance imaging GLRA1, GLRA3, GLRB MEN1 2879/4885GAA 3767/4885KMT2A 3983/4885
US-20050096306-A1 Cephem compounds CEP170, ASS1, C1S MEN1 871/4885GAA 3639/4885KMT2A 2617/4885
US-20230113481-A1 NEW GADOLINIUM CHELATE COMPOUNDS FOR USE IN MAGNETIC RESONANCE IMAGING GLRA1, GLRA3, GLRB MEN1 3236/4885GAA 3681/4885KMT2A 3832/4885
US-20050074411-A1 Peptide-based multimeric targeted contrast agents NGLY1, IAPP, NPPA MEN1 41/4885GAA 2063/4885KMT2A 4290/4885
US-20030216320-A1 Peptide-based multimeric targeted contrast agents NGLY1, IAPP, NPPA MEN1 41/4885GAA 2063/4885KMT2A 4290/4885
US-20230023559-A1 ARYLMETHYLENE HETEROCYCLIC COMPOUNDS AS KV1.3 POTASSIUM SHAKER CHANNEL BLOCKERS KCNJ2, KCNA3, KCNH3 MEN1 1151/4885GAA 2669/4885KMT2A 229/4885
US-20250114485-A1 GADOLINIUM CHELATE COMPOUNDS FOR USE IN MAGNETIC RESONANCE IMAGING GLRA1, GLRA3, GLRB MEN1 2981/4885GAA 3363/4885KMT2A 3852/4885

“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.