SCHEMBL1304101

SCHEMBL1304101

CC(C)(C)OC(=O)NCCC#N

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.53
MEN1 O00255 1/20 0.50
GAA P10253 1/20 0.50
KMT2A Q03164 1/20 0.50
CTSS P25774 10/20 0.47
CTSK P43235 9/20 0.47
MAOA P21397 1/20 0.46
MAOB P27338 1/20 0.46
CTSL P07711 1/20 0.45
CTSB P07858 1/20 0.45
CA12 O43570 2/20 0.44
CA1 P00915 2/20 0.44
CA2 P00918 2/20 0.44
CA9 Q16790 2/20 0.44
EPHX1 P07099 1/20 0.44

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
SCHEMBL7337844 0.90 TDP1 (0.45) TDP1MEN1GAAKMT2ACTSS
SCHEMBL1519817 0.89 MEN1 (0.60) TDP1MEN1GAAKMT2ACTSS
SCHEMBL7546189 0.88 TDP1 (0.42) TDP1MEN1GAAKMT2ACTSS
SCHEMBL5558068 0.87 TDP1 (0.62) TDP1MEN1GAAKMT2ACTSS
SCHEMBL31236472 0.87 MAOA (0.54) TDP1MEN1GAAKMT2ACTSS
SCHEMBL15255730 0.87 MAOA (0.57) TDP1MEN1GAAKMT2ACTSS
SCHEMBL21233506 0.86 TDP1 (0.65) TDP1MEN1GAAKMT2ACTSS
SCHEMBL25353938 0.85 MAOA (0.60) TDP1MEN1GAAKMT2ACTSS
SCHEMBL25353161 0.85 MAOA (0.60) TDP1MEN1GAAKMT2ACTSS
SCHEMBL2247638 0.84 TDP1 (0.46) TDP1MEN1GAAKMT2ACTSS

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4704904-A1 TETRAZINE-BASED TARGETING AGENTS FOR IN VIVO DELIVERY OF A PAYLOAD Tambo, Inc. (US) 2026-03-11 EP disclosed
EP-3474901-B1 CLEAVABLE TETRAZINE USED IN BIO-ORTHOGONAL DRUG ACTIVATION TAGWORKS PHARMACEUTICALS B V (NL) 2025-08-06 EP disclosed
WO-2025059685-A1 METHODS FOR IN VIVO TARGETED DELIVERY OF A PAYLOAD TAMBO, INC. (US) 2025-03-20 WO disclosed
WO-2025043219-A1 METHODS FOR UNCAGING TETRAZINES THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2025-02-27 WO disclosed
US-12186405-B2 Cleavable tetrazine used in bio-orthogonal drug activation TAGWORKS PHARMACEUTICALS B.V. (NL) 2025-01-07 US disclosed
WO-2024229427-A1 TETRAZINE-BASED TARGETING AGENTS FOR IN VIVO DELIVERY OF A PAYLOAD TAMBO, INC. (US) 2024-11-07 WO disclosed
EP-4422696-A1 TETRAZINE CONJUGATES FOR IN VIVO TARGETED DELIVERY OF A PAYLOAD Tambo, Inc. (US) 2024-09-04 EP disclosed
US-20240208992-A1 MACROCYCLES AS CFTR MODULATORS IDORSIA PHARMACEUTICALS LTD (CH) 2024-06-27 US disclosed
WO-2024137426-A1 PROCESS TO MAKE GLP1 RA AND INTERMEDIATES THEREFOR ELI LILLY AND COMPANY (US) 2024-06-27 WO disclosed
EP-4382167-A2 COMPOUNDS COMPRISING A LINKER FOR INCREASING TRANSCYCLOOCTENE STABILITY Tagworks Pharmaceuticals B.V. (NL) 2024-06-12 EP disclosed
CN-101146811-A HIV integrase inhibitors ISTITUTO DE RICERCHE DI BIOLOG (IT) 2008-03-19 CN disclosed
WO-2007072153-A2 CARBONYLAMINO PYRROLOPYRAZOLES, POTENT KINASE INHIBITORS PFIZER PRODUCTS INC. (US) 2007-06-28 WO disclosed
US-5414013-A Enzyme inhibitors E. R. SQUIBB & SONS, INC. (US) 1995-05-09 US disclosed
US-5414017-A Cardiovascular agents E. R. SQUIBB & SONS, INC. (US) 1995-05-09 US disclosed
US-5378706-A Memory disorders, senile dememtia SANOFI (FR) 1995-01-03 US disclosed
EP-0449523-B1 Mercapto- or acylthio-trifluoromethyl amide derivatives and their use SQUIBB & SONS INC (US) 1994-08-17 EP disclosed
WO-1993023402-A1 3-AZETIDINYLTHIO-CARBAPENEME DERIVATIVES, THEIR PREPARATION AND USE AS ANTIMICROBIAL AGENTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1993-11-25 WO disclosed
US-5232921-A Thiazole derivatives active on the cholinergic system, process for obtention and pharmaceutical compositions SANOFI (FR) 1993-08-03 US disclosed
US-5223516-A Endopeptidase inhibitors E. R. SQUIBB & SONS, INC. (US) 1993-06-29 US disclosed
EP-0449523-A1 Mercapto- or acylthio-trifluoromethyl amide derivatives and their use E.R. SQUIBB & SONS, INC. (US) 1991-10-02 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 (2 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-20240208992-A1 MACROCYCLES AS CFTR MODULATORS CFTR, PKD1, ARRB1 TDP1 4270/4885MEN1 1575/4885GAA 2994/4885
US-12186405-B2 Cleavable tetrazine used in bio-orthogonal drug activation KIT, TPSB2, BTD TDP1 1334/4885MEN1 1811/4885GAA 942/4885

“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.