SCHEMBL102146

SCHEMBL102146

CC(C)C(=O)C(=[N+]=[N-])P(=O)(O)O

nearest known ligand 0.33

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 2/20 0.33
MMP8 P22894 2/20 0.33
CA12 O43570 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
MMP2 P08253 1/20 0.33
MMP9 P14780 1/20 0.33
CA9 Q16790 1/20 0.33

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
SCHEMBL2110311 0.78 MMP1 (0.36) MMP1MMP8CA12CA1CA2
SCHEMBL848769 0.73 MMP2 (0.31) MMP8MMP2
SCHEMBL187536 0.70
SCHEMBL2874752 0.70 GRIK1 (0.34)
SCHEMBL27750636 0.68 CA4 (0.33)
SCHEMBL5037125 0.68 MMP1 (0.33) MMP1MMP8CA12CA1CA2
SCHEMBL18486496 0.62 MMP1 (0.37) MMP1MMP8CA12CA1CA2
SCHEMBL165032 0.62 LAP3 (0.30)
SCHEMBL109960 0.61 TSHR (0.41)
SCHEMBL3469330 0.61

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11390644-B2 Raman tag PURDUE RESEARCH FOUNDATION (US) 2022-07-19 US claimed
US-20190085019-A1 RAMAN TAG PURDUE RESEARCH FOUNDATION (US) 2019-03-21 US claimed
EP-2785687-B1 PROCESS FOR PREPARATION OF (3R)-2,4-DI-LEAVING GROUP-3-METHYLBUT-1-ENE SANDOZ AG (CH) 2019-02-20 EP claimed
US-10131687-B2 Raman tag PURDUE RESEARCH FOUNDATION (US) 2018-11-20 US claimed
US-20170313738-A1 RAMAN TAG PURDUE RESEARCH FOUNDATION (US) 2017-11-02 US claimed
US-9181152-B2 Process for preparation of (3R)-2,4-di-leaving group-3-methylbut-1-ene ALPHORA RESEARCH INC. (CA) 2015-11-10 US claimed
US-20140323744-A1 PROCESS FOR PREPARATION OF (3R)-2,4-DI-LEAVING GROUP-3-METHYLBUT-1-ENE ALPHORA RESEARCH INC. (CA) 2014-10-30 US claimed
EP-2785687-A1 PROCESS FOR PREPARATION OF (3R)-2,4-DI-LEAVING GROUP-3-METHYLBUT-1-ENE Alphora Research Inc. (CA) 2014-10-08 EP claimed
WO-2014001527-A2 LIPID ANALYSIS Rheinische Friedrich-Wilhelms-Universität Bonn (DE) 2014-01-03 WO claimed
WO-2013078559-A1 PROCESS FOR PREPARATION OF (3R)-2,4-DI-LEAVING GROUP-3-METHYLBUT-1-ENE ALPHORA RESEARCH INC. (CA) 2013-06-06 WO claimed
US-7973165-B2 Imidazole derivatives HOFFMANN-LA ROCHE INC. (US) 2011-07-05 US claimed
EP-1353929-B1 STREPTOGRAMIN DERIVATIVES PREPARATION THEREOF AND COMPOSITIONS CONTAINING SAME AVENTIS PHARMA SA (FR) 2005-03-16 EP claimed
US-20260137674-A1 COMBINATION THERAPY USING A KRAS G12D INHIBITOR, AND A NUCLEOSIDE ANALOG, AND/OR A MICROTUBULE INHIBITOR INCYTE CORP (US) 2026-05-21 US disclosed
EP-4743178-A1 NOVEL COMPOUNDS FOR THE TREATMENT OF CANCER AND METABOLIC DISEASES Katholieke Universiteit Leuven KU Leuven Research & Development (BE) 2026-05-20 EP disclosed
EP-4745129-A2 COMPOUND HAVING CYCLIC STRUCTURE Daiichi Sankyo Company, Limited (JP) 2026-05-20 EP disclosed
EP-4743447-A1 NOVEL COMPOUNDS FOR THE TREATMENT OF CANCER AND METABOLIC DISEASES Katholieke Universiteit Leuven KU Leuven Research & Development (BE) 2026-05-20 EP disclosed
WO-2000035908-A1 4-ALKENYL (AND ALKYNYL) OXINDOLES AS INHIBITORS OF CYCLIN-DEPENDENT KINASES, IN PARTICULAR CDK2 F. HOFFMANN-LA ROCHE AG (CH) 2000-06-22 WO disclosed
EP-0944587-A1 METALLOPROTEINASE INHIBITORS BRITISH BIOTECH PHARMACEUTICALS LIMITED (GB) 1999-09-29 EP disclosed
WO-1999045927-A1 VITRONECTIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1999-09-16 WO disclosed
WO-1998024759-A1 METALLOPROTEINASE INHIBITORS BRITISH BIOTECH PHARMACEUTICALS LIMITED (GB) 1998-06-11 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 (6 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-20170313738-A1 RAMAN TAG CD2, DNAJA3, DNAJC10 MMP1 4264/4885MMP8 4490/4885CA12 3120/4885
US-20260137674-A1 COMBINATION THERAPY USING A KRAS G12D INHIBITOR, AND A NUCLEOSIDE ANALOG, AND/OR A MICROTUBULE INHIBITOR KRAS, NRAS, DCTD MMP1 3501/4885MMP8 2179/4885CA12 4347/4885
US-11390644-B2 Raman tag NR1H4, PDS5A, DHCR7 MMP1 4562/4885MMP8 4754/4885CA12 1129/4885
US-10131687-B2 Raman tag NR1H4, DOHH, DHCR7 MMP1 4552/4885MMP8 4738/4885CA12 981/4885
US-20140323744-A1 PROCESS FOR PREPARATION OF (3R)-2,4-DI-LEAVING GROUP-3-METHYLBUT-1-ENE ALG8, LSS, GYPA MMP1 4336/4885MMP8 4319/4885CA12 2946/4885
US-20190085019-A1 RAMAN TAG NR1H4, NR1H2, NR1H3 MMP1 4347/4885MMP8 3973/4885CA12 744/4885

“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.