SCHEMBL1913019

SCHEMBL1913019

CC(C)Cc1cnc(C(C)C)s1

nearest known ligand 0.30

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.30
HPGD P15428 1/20 0.30

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
SCHEMBL2753989 0.81 FDPS (0.41)
SCHEMBL27830325 0.81
SCHEMBL6962354 0.79 FDPS (0.30)
SCHEMBL2306955 0.79
SCHEMBL6962358 0.79 OGA (0.34)
SCHEMBL13010809 0.79 LOXL2 (0.36)
SCHEMBL13534013 0.78 FDPS (0.44)
Hydrochloric Acid SCHEMBL17080241 0.78 LOXL2 (0.37)
SCHEMBL10183130 0.77 SLC6A3 (0.42) ALDH1A1HPGD
SCHEMBL12648598 0.77 KMT2A (0.44) ALDH1A1

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 20 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3442977-B1 INHIBITORS OF ACTIVIN RECEPTOR-LIKE KINASE BLUEPRINT MEDICINES CORP (US) 2023-06-28 EP disclosed
US-10202404-B2 Polycyclic pyridone derivative having integrase inhibitory activity SHIONOGI & CO., LTD. (JP) 2019-02-12 US disclosed
US-10011613-B2 Polycyclic pyridone derivative having integrase inhibitory activity SHIONOGI & CO., LTD. (JP) 2018-07-03 US disclosed
US-20170226128-A1 POLYCYCLIC PYRIDONE DERIVATIVE HAVING INTEGRASE INHIBITORY ACTIVITY SHIONOGI & CO., LTD. (JP) 2017-08-10 US disclosed
US-8637549-B2 Pyridons as PDK1 inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-01-28 US disclosed
US-8637549-B2 Pyridons as PDK1 inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-01-28 US disclosed
US-20130011361-A1 PYRAZOLE DERIVATIVES WHICH MODULATE STEAROYL-COA DESATURASE XENON PHARMACEUTICALS INC. (CA) 2013-01-10 US disclosed
US-20130011361-A1 PYRAZOLE DERIVATIVES WHICH MODULATE STEAROYL-COA DESATURASE XENON PHARMACEUTICALS INC. (CA) 2013-01-10 US disclosed
US-20120014906-A1 ORGANIC COMPOUNDS XENON PHARMACEUTICALS INC. (CA) 2012-01-19 US disclosed
US-20120010135-A1 SPIRO DERIVATIVES FOR THE MODULATION OF STEAROYL-COA DESATURASE XENON PHARMACEUTICALS INC. (CA) 2012-01-12 US disclosed
US-20110313156-A1 HETEROCYCLYL CARBONIC ACID AMIDES AS ANTIPROLIFERATIVE AGENTS, PDKL INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-12-22 US disclosed
US-20110313156-A1 HETEROCYCLYL CARBONIC ACID AMIDES AS ANTIPROLIFERATIVE AGENTS, PDKL INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-12-22 US disclosed
US-20110269958-A1 PYRIDONS AS PDK1 INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-11-03 US disclosed
US-20110269958-A1 PYRIDONS AS PDK1 INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-11-03 US disclosed
US-8049016-B2 Thiazole derivatives which inhibit stearoyl-CoA desaturase enzymes NOVARTIS AG (CH) 2011-11-01 US disclosed
US-20110105530-A1 ORGANIC COMPOUNDS XENON PHARMACEUTICALS INC. (CA) 2011-05-05 US disclosed
WO-2011039358-A1 PYRAZOLE DERIVATIVES WHICH MODULATE STEAROYL-COA DESATURASE NOVARTIS AG (CH) 2011-04-07 WO disclosed
WO-2010007114-A2 NEW CHEMICAL COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-01-21 WO disclosed
WO-2010007116-A2 NEW CHEMICAL COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-01-21 WO disclosed
US-20090264444-A1 Organic compounds XENON PHARMACEUTICALS INC. (CA) 2009-10-22 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 (10 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-20120010135-A1 SPIRO DERIVATIVES FOR THE MODULATION OF STEAROYL-COA DESATURASE SCD, SCD5, FADS2 ALDH1A1 737/4885HPGD 316/4885
US-20110105530-A1 ORGANIC COMPOUNDS SCD, SCD5, FADS2 ALDH1A1 451/4885HPGD 344/4885
US-10011613-B2 Polycyclic pyridone derivative having integrase inhibitory activity TYMP, CDK6, IMPA1 ALDH1A1 1332/4885HPGD 924/4885
US-20110313156-A1 HETEROCYCLYL CARBONIC ACID AMIDES AS ANTIPROLIFERATIVE AGENTS, PDKL INHIBITORS PDK2, PDK4, CCNH ALDH1A1 816/4885HPGD 902/4885
US-20130011361-A1 PYRAZOLE DERIVATIVES WHICH MODULATE STEAROYL-COA DESATURASE SCD, SCD5, FADS2 ALDH1A1 601/4885HPGD 237/4885
US-20120014906-A1 ORGANIC COMPOUNDS SCD, SCD5, FADS2 ALDH1A1 451/4885HPGD 344/4885
US-20110269958-A1 PYRIDONS AS PDK1 INHIBITORS PDK1, PDK2, PDK4 ALDH1A1 1546/4885HPGD 1367/4885
US-20090264444-A1 Organic compounds SCD, SCD5, FADS2 ALDH1A1 451/4885HPGD 344/4885
US-20170226128-A1 POLYCYCLIC PYRIDONE DERIVATIVE HAVING INTEGRASE INHIBITORY ACTIVITY TYMP, CDK6, IMPA1 ALDH1A1 1332/4885HPGD 924/4885
US-10202404-B2 Polycyclic pyridone derivative having integrase inhibitory activity TYMP, CDK6, IMPA1 ALDH1A1 1332/4885HPGD 924/4885

“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.