SCHEMBL4141652

SCHEMBL4141652

COC(=NC(C)C)NC(C)C

nearest known ligand 0.32

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
MMP1 P03956 1/20 0.32
MMP2 P08253 1/20 0.32
MMP9 P14780 1/20 0.32
MMP8 P22894 1/20 0.32
CA9 Q16790 1/20 0.32

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
SCHEMBL4141650 1.00 CA12 (0.32) CA12CA1CA2MMP1MMP2
SCHEMBL17050367 1.00 CA12 (0.32) CA12CA1CA2MMP1MMP2
Oxalic Acid SCHEMBL11793800 0.89 CA12 (0.35) CA12CA1CA2MMP1MMP2
SCHEMBL15927997 0.80
SCHEMBL10548828 0.80
SCHEMBL9825498 0.80
SCHEMBL9432221 0.80
SCHEMBL613869 0.77 CTSK (0.32) CA1CA2
SCHEMBL94143 0.77 CTSK (0.32) CA1CA2
SCHEMBL94144 0.77 CTSK (0.32) CA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2025083736-A1 NOVEL PROCESS FOR THE PREPARATION OF PIRTOBRUTINIB AND ITS INTERMEDIATES THEREOF MSN LABORATORIES PRIVATE LIMITED, R&D CENTER (IN) 2025-04-24 WO claimed
EP-3679013-B1 METHOD FOR MAKING ISOCYANATES COVESTRO INTELLECTUAL PROPERTY GMBH & CO KG (DE) 2023-11-29 EP claimed
CN-111051276-B Method for producing isocyanates 科思创德国股份有限公司 2022-09-09 CN claimed
US-10858310-B1 Method for producing isocyanates COVERSTRO DEUTSCHLAND AG (DE) 2020-12-08 US claimed
US-20200361856-A1 METHOD FOR PRODUCING ISOCYANATES COVESTRO DEUTSCHLAND AG (DE) 2020-11-19 US claimed
WO-2007142700-A1 COPPER (I) AMIDINATES AND GUANIDINATES FOR FORMING COPPER THIN FILMS ADVANCED TECHNOLOGY MATERIALS, INC. (US) 2007-12-13 WO claimed
EP-4692940-A1 PHOTOSENSITIVE RESIN COMPOSITION, CURED FILM, ELECTRONIC DEVICE, AND ELECTRONIC DEVICE MANUFACTURING METHOD Sumitomo Bakelite Co., Ltd. (JP) 2026-02-11 EP disclosed
US-12421211-B2 Heterocyclic compounds HOFFMANN-LA ROCHE INC. (US) 2025-09-23 US disclosed
US-12410183-B2 Sars-cov2 main protease inhibitors GILEAD SCIENCES, INC. (US) 2025-09-09 US disclosed
EP-4565574-A1 SARS-COV2 MAIN PROTEASE INHIBITORS GILEAD SCIENCES, INC. (US) 2025-06-11 EP disclosed
WO-2025083736-A1 NOVEL PROCESS FOR THE PREPARATION OF PIRTOBRUTINIB AND ITS INTERMEDIATES THEREOF MSN LABORATORIES PRIVATE LIMITED, R&D CENTER (IN) 2025-04-24 WO disclosed
CN-119731159-A SARS-CoV2 main proteinase inhibitor 吉利德科学公司 2025-03-28 CN disclosed
US-20250042915-A1 SARS-COV2 MAIN PROTEASE INHIBITORS GILEAD SCIENCES, INC. 2025-02-06 US disclosed
EP-0647133-A1 COMPOSITIONS AND METHODS FOR ENHANCED DRUG DELIVERY AFFYMAX TECHNOLOGIES N.V. (AN) 1995-04-12 EP disclosed
WO-1993025197-A1 COMPOSITIONS AND METHODS FOR ENHANCED DRUG DELIVERY AFFYMAX TECHNOLOGIES N.V. (AN) 1993-12-23 WO disclosed
US-5196478-A Polystyrene, assays EPIPHARM ALLERGIE-SERVICE GESELLSCHAFT M.B.H. (AT) 1993-03-23 US disclosed
WO-1992020336-A2 NOVEL CHOLESTEROL LOWERING COMPOUNDS MERCK & CO., INC. (US) 1992-11-26 WO disclosed
EP-0512865-A2 Novel cholesterol lowering compounds MERCK & CO. INC. (US) 1992-11-11 EP disclosed
US-4431576-A COSMETICS; TOILETRIES; DETERGENTS; INSECTICIDES; WAXES ROUSSEL UCLAF (FR) 1984-02-14 US disclosed
US-3947274-A Silver halide photographic material containing an isourea derivative as antifoggant FUJI PHOTO FILM CO., LTD. (JA) 1976-03-30 US 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 (5 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-20250042915-A1 SARS-COV2 MAIN PROTEASE INHIBITORS ACE2, TMPRSS2, ACE CA12 609/4885CA1 2925/4885CA2 426/4885
US-12421211-B2 Heterocyclic compounds F12, C1R, MRPL21 CA12 4230/4885CA1 4605/4885CA2 3966/4885
US-12410183-B2 Sars-cov2 main protease inhibitors ACE2, TMPRSS2, ACE CA12 609/4885CA1 2925/4885CA2 426/4885
US-20200361856-A1 METHOD FOR PRODUCING ISOCYANATES IDH2, ADH5, ADH1C CA12 249/4885CA1 260/4885CA2 170/4885
US-10858310-B1 Method for producing isocyanates IDH2, ADH5, ADH1C CA12 249/4885CA1 260/4885CA2 170/4885

“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.