SCHEMBL4422666

SCHEMBL4422666

CC(C)(C)OC(=O)CNOCc1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.45
RAB9A P51151 2/20 0.45
CA12 O43570 1/20 0.43
CA1 P00915 1/20 0.43
CA7 P43166 1/20 0.43
CA14 Q9ULX7 1/20 0.43
SYK P43405 1/20 0.43
PPARA Q07869 1/20 0.43
ALDH1A1 P00352 1/20 0.42
PTPRC P08575 2/20 0.42
AKT1 P31749 2/20 0.42

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
SCHEMBL14729256 0.85 NPC1 (0.43) NPC1RAB9ACA12CA1CA7
SCHEMBL2141676 0.80 ALDH1A1 (0.51) RAB9ACA1SYKPPARAALDH1A1
SCHEMBL6016839 0.80 SYK (0.57) SYKALDH1A1
SCHEMBL3110938 0.79 L3MBTL1 (0.49) NPC1CA12CA1CA7CA14
SCHEMBL1160560 0.78 NPC1 (0.55) NPC1RAB9ACA1ALDH1A1
SCHEMBL14535782 0.78 SYK (0.52) NPC1RAB9ACA12CA1CA7
SCHEMBL19853352 0.78 IDO1 (0.54) CA12CA1CA7CA14SYK
SCHEMBL16761858 0.78 SYK (0.49) SYKPPARAALDH1A1
SCHEMBL716007 0.78 NPC1 (0.56) NPC1RAB9ACA12CA1CA7
SCHEMBL394244 0.78 ALDH1A1 (0.56) NPC1RAB9ACA12CA1CA7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240076728-A1 NOVEL METHOD OF COMBINED MOLECULAR CLAMPING AND ALLELE SPECIFIC qPCR TECHNOLOGY FOR KRAS G12C MUTATION DETECTION SUN QING (US) 2024-03-07 US disclosed
US-11845934-B2 Specific synthetic chimeric xenonucleic acid guide RNA; s(XNA-gRNA) for enhancing CRISPR mediated genome editing efficiency DiaCarta Inc. (US) 2023-12-19 US disclosed
US-20220025453-A1 XENONUCLEIC ACID-MEDIATED MULTIPLEX QPCR CLAMPING TECHNOLOGY FOR LUNG CANCER MUTATION DETECTION Sha michael y (US) 2022-01-27 US disclosed
US-20220025437-A1 NOVEL METHOD OF COMBINED MOLECULAR CLAMPING AND ALLELE SPECIFIC qPCR TECHNOLOGY FOR KRAS G12C MUTATION DETECTION SUN QING (US) 2022-01-27 US disclosed
US-20220025437-A1 NOVEL METHOD OF COMBINED MOLECULAR CLAMPING AND ALLELE SPECIFIC qPCR TECHNOLOGY FOR KRAS G12C MUTATION DETECTION SUN QING (US) 2022-01-27 US disclosed
US-20220025453-A1 XENONUCLEIC ACID-MEDIATED MULTIPLEX QPCR CLAMPING TECHNOLOGY FOR LUNG CANCER MUTATION DETECTION Sha michael y (US) 2022-01-27 US disclosed
US-11208689-B2 DNA mutation detection employing enrichment of mutant polynucleotide sequences and minimally invasive sampling DIACARTA LTD 2021-12-28 US disclosed
US-11208689-B2 DNA mutation detection employing enrichment of mutant polynucleotide sequences and minimally invasive sampling DIACARTA LTD 2021-12-28 US disclosed
US-20190330621-A1 SPECIFIC SYNTHETIC CHIMERIC XENONUCLEIC ACID GUIDE RNA; s(XNA-gRNA) FOR ENHANCING CRISPR MEDIATED GENOME EDITING EFFICIENCY POWELL MICHAEL J (US) 2019-10-31 US disclosed
US-20190330621-A1 SPECIFIC SYNTHETIC CHIMERIC XENONUCLEIC ACID GUIDE RNA; s(XNA-gRNA) FOR ENHANCING CRISPR MEDIATED GENOME EDITING EFFICIENCY POWELL MICHAEL J (US) 2019-10-31 US disclosed
EP-1299354-B1 FACTOR VIIA INHIBITORY (THIO)UREA DERIVATIVES, THEIR PREPARATION AND THEIR USE SANOFI AVENTIS DEUTSCHLAND (DE) 2009-07-22 EP disclosed
EP-1417219-A4 LIBRARIES OF CONFORMATIONALLY CONSTRAINED PEPTIDES, CHIRAL AZACROWNS, AND PEPTIDOMIMETICS AND METHODS OF MAKING THE SAME METAPHORE PHARMACEUTICALS INC (US) 2005-05-25 EP disclosed
US-20040236519-A1 Libraries of confomationally constrained peptides, chiral azacrowns, and peptidomimetics and methods of making the same METAPHORE PHARMACEUTICALS, INC. 2004-11-25 US disclosed
US-6743790-B2 A UREA OR THIOUREA DERIVATIVES CONTAINING AMIDE GROUP USEFUL AS ANTICOAGULANTS AND ANTIINFLAMMATORY AGENTS AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2004-06-01 US disclosed
EP-1417219-A2 LIBRARIES OF CONFORMATIONALLY CONSTRAINED PEPTIDES, CHIRAL AZACROWNS, AND PEPTIDOMIMETICS AND METHODS OF MAKING THE SAME Metaphore Pharmaceuticals Inc. (US) 2004-05-12 EP disclosed
EP-1299354-A2 FACTOR VIIA INHIBITORY (THIO)UREA DERIVATIVES, THEIR PREPARATION AND THEIR USE Aventis Pharma Deutschland GmbH (DE) 2003-04-09 EP disclosed
WO-2002100883-A2 LIBRARIES OF CONFORMATIONALLY CONSTRAINED PEPTIDES, CHIRAL AZACROWNS, AND PEPTIDOMIMETICS AND METHODS OF MAKING THE SAME METAPHORE PHARMACEUTICALS, INC. (US) 2002-12-19 WO disclosed
US-20020052417-A1 Factor VIIa inhibitory (thio)urea derivatives, their preparation and their use SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2002-05-02 US disclosed
WO-2001094301-A2 FACTOR VIIA INHIBITORY (THIO)UREA DERIVATIVES, THEIR PREPARATION AND THEIR USE AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2001-12-13 WO disclosed
EP-1162194-A1 Factor VIIa inhibitory (thio)urea derivatives, their preparation and their use Aventis Pharma Deutschland GmbH (DE) 2001-12-12 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 (3 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-20190330621-A1 SPECIFIC SYNTHETIC CHIMERIC XENONUCLEIC ACID GUIDE RNA; s(XNA-gRNA) FOR ENHANCING CRISPR MEDIATED GENOME EDITING EFFICIENCY XPA, CDA, GDA NPC1 1064/4885RAB9A 2249/4885CA12 4349/4885
US-11845934-B2 Specific synthetic chimeric xenonucleic acid guide RNA; s(XNA-gRNA) for enhancing CRISPR mediated genome editing efficiency XPA, CDA, GDA NPC1 1064/4885RAB9A 2249/4885CA12 4349/4885
US-20020052417-A1 Factor VIIa inhibitory (thio)urea derivatives, their preparation and their use F7, F9, F5 NPC1 1638/4885RAB9A 1725/4885CA12 4382/4885

“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.