SCHEMBL611618

SCHEMBL611618

Nc1ncnc2c1ncn2[C@@H]1O[C@H](COC(=O)c2ccc(S(=O)(=O)F)cc2)C(O)C1O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCB1 P08183 1/20 1.00
PNP P00491 1/20 0.71
GSK3A P49840 2/20 0.70
RPS6KA3 P51812 2/20 0.70
MAPK14 Q16539 2/20 0.70
HSPA2 P54652 2/20 0.69
EGFR P00533 2/20 0.67
ABL1 P00519 1/20 0.62
ABL2 P42684 1/20 0.62
ADORA1 P30542 2/20 0.61
ADORA3 P0DMS8 1/20 0.61
ADORA2A P29274 1/20 0.61
ADORA2B P29275 1/20 0.61
TAS1R3 Q7RTX0 2/20 0.59
TAS1R1 Q7RTX1 2/20 0.59
DNPH1 O43598 1/20 0.59
PRKAB2 O43741 1/20 0.59
TRPM2 O94759 1/20 0.59
LDHA P00338 1/20 0.59
ADRB2 P07550 1/20 0.59

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
SCHEMBL9605293 1.00 ABCB1 (1.00) ABCB1PNPGSK3ARPS6KA3MAPK14
SCHEMBL9607792 1.00 ABCB1 (1.00) ABCB1PNPGSK3ARPS6KA3MAPK14
SCHEMBL4629734 1.00 ABCB1 (1.00) ABCB1PNPGSK3ARPS6KA3MAPK14
Hydrochloric Acid SCHEMBL19666771 0.99 ABCB1 (0.98) ABCB1PNPGSK3ARPS6KA3MAPK14
SCHEMBL1271978 0.92 ABCB1 (0.85) ABCB1PNPGSK3ARPS6KA3MAPK14
SCHEMBL5738576 0.90 ABCB1 (0.82) ABCB1PNPGSK3ARPS6KA3MAPK14
SCHEMBL441535 0.87 ABCB1 (0.77) ABCB1GSK3ARPS6KA3MAPK14ADORA1
SCHEMBL11644877 0.87 ABCB1 (0.77) ABCB1GSK3ARPS6KA3MAPK14ADORA1
SCHEMBL14471384 0.87 ABCB1 (0.77) ABCB1GSK3ARPS6KA3MAPK14EGFR
SCHEMBL1272109 0.87 ABCB1 (0.77) ABCB1PNPGSK3ARPS6KA3MAPK14

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160243149-A1 NOVEL ANTI-VIRAL THERAPEUTIC THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2016-08-25 US claimed
US-20100143322-A1 USE OF INHIBITORS OF N-METHYL TRANSFERASES FOR THE THERAPY OF PARKINSON'S DISEASE PLT PATENT & LICENCE TRADING LTD., C/O THE B-NET (GB) 2010-06-10 US claimed
US-7323319-B2 RNA containing coenzymes, biotin, or fluorophores, and methods for their preparation and use THE UNIVERSITY OF SOUTHERN MISSISSIPPI (US) 2008-01-29 US claimed
US-20070009427-A1 Compounds and methods for enhanced delivery to disease targets GENERAL ELECTRIC COMPANY 2007-01-11 US claimed
US-20070009428-A1 Compounds and methods for enhanced delivery to disease targets GENERAL ELECTRIC COMPANY 2007-01-11 US claimed
EP-1604021-A4 METHODS FOR IDENTIFYING ENZYME INHIBITORS AND PROTEIN KINASES SMITHKLINE BEECHAM CORP (US) 2006-11-08 EP claimed
US-20060234327-A1 Methods for identifying enzyme inhibitors and protein kinases BRAMSON HAROLD N 2006-10-19 US claimed
EP-1604021-A2 METHODS FOR IDENTIFYING ENZYME INHIBITORS AND PROTEIN KINASES SMITHKLINE BEECHAM CORPORATION (US) 2005-12-14 EP claimed
US-20040241649-A1 RNA CONTAINING COENZYMES, BIOTIN, OR FLUOROPHORES, AND METHODS FOR THEIR PREPARATION AND USE UNIVERSITY OF SOUTHERN MISSISSIPPI (US) 2004-12-02 US claimed
WO-2004083175-A2 METHODS FOR IDENTIFYING ENZYME INHIBITORS AND PROTEIN KINASES SMITHKLINE BEECHAM CORPORATION (US) 2004-09-30 WO claimed
EP-1385998-A1 BIOMOLECULE CHARACTERIZATION USING MASS SPECTROMETRY AND AFFINITY TAGS Ciphergen Biosystems, Inc. (US) 2004-02-04 EP claimed
EP-1352627-A2 Reduction of hair growth THE GILLETTE COMPANY (US) 2003-10-15 EP claimed
US-20030077616-A1 Biomolecule characterization using mass spectrometry and affinity tags CIPHERGEN BIOSYSTEMS, INC. (US) 2003-04-24 US claimed
WO-2002086168-A1 BIOMOLECULE CHARACTERIZATION USING MASS SPECTROMETRY AND AFFINITY TAGS CIPHERGEN BIOSYSTEMS, INC. (US) 2002-10-31 WO claimed
US-5798241-A ANTICOAGULANTS, ANTIINFLAMMATORY AGENTS UNIVERSITE DE SHERBROOKE (CA) 1998-08-25 US claimed
EP-0690924-A1 ANTI-MICROBIAL AGENTS AND SCREENING METHOD THEREFOR THE UNIVERSITY OF DUNDEE, UNIVERSITY COURT (GB) 1996-01-10 EP claimed
WO-1994023059-A2 ANTI-MICROBIAL AGENTS AND SCREENING METHOD THEREFOR THE UNIVERSITY COURT OF THE UNIVERSITY OF DUNDEE (GB) 1994-10-13 WO claimed
US-11197854-B1 Inhibitors for targeting flaviviruses NATIONAL TECHNOLOGY & ENGINEERING SOLUTIONS OF SANDIA, LLC (US) 2021-12-14 US disclosed
EP-0439585-A1 IMMOBILISATION OF LIGANDS BY RADIO-DERIVATIZED POLYMERS. EPIPHARM ALLERGIE SERVICE (AT) 1991-08-07 EP disclosed
WO-1991002768-A1 IMMOBILISATION OF LIGANDS BY RADIO-DERIVATIZED POLYMERS EPIPHARM ALLERGIE-SERVICE GESELLSCHAFT M.B.H. (AT) 1991-03-07 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 (4 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-11197854-B1 Inhibitors for targeting flaviviruses HAVCR2, MME, SPINT2 ABCB1 2478/4885PNP 838/4885GSK3A 3361/4885
US-20070009428-A1 Compounds and methods for enhanced delivery to disease targets SERPINA6, PAICS, FABP1 ABCB1 572/4885PNP 1295/4885GSK3A 4605/4885
US-20070009427-A1 Compounds and methods for enhanced delivery to disease targets SELPLG, FABP1, PIGO ABCB1 599/4885PNP 2104/4885GSK3A 4550/4885
US-20160243149-A1 NOVEL ANTI-VIRAL THERAPEUTIC RNASEH1, DNASE1L3, DNASE1 ABCB1 4006/4885PNP 1008/4885GSK3A 4673/4885

“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.