SCHEMBL2299641

SCHEMBL2299641

CC(C)(C)OC(=O)NC1CCN(CC(F)(F)F)CC1

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CTSK P43235 2/20 0.51
KCNA3 P22001 1/20 0.50
HPGDS O60760 5/20 0.46
DRD2 P14416 4/20 0.46
BTK Q06187 1/20 0.44
CCR5 P51681 1/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
CYP2C9 P11712 1/20 0.43
HSD11B1 P28845 1/20 0.43
EPHX1 P07099 2/20 0.43
KDM1A O60341 1/20 0.42
DRD3 P35462 1/20 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
SCHEMBL24928803 0.92 CTSK (0.56) CTSKKCNA3DRD2BTKCCR5
SCHEMBL17108791 0.91 CTSK (0.51) CTSKKCNA3DRD2BTKCCR5
SCHEMBL13255982 0.88 CTSK (0.54) CTSKKCNA3DRD2BTKCCR5
SCHEMBL30371406 0.86 KCNA3 (0.60) CTSKKCNA3DRD2BTKCCR5
SCHEMBL31460583 0.84 CTSK (0.50) CTSKKCNA3DRD2BTKCCR5
SCHEMBL14737824 0.83 CA1 (0.55) CTSKKCNA3DRD2BTKCA1
SCHEMBL4623791 0.83 EPHX1 (0.48) CTSKKCNA3HPGDSDRD2EPHX1
SCHEMBL2379374 0.83 CA1 (0.55) CTSKKCNA3DRD2BTKCA1
SCHEMBL3965693 0.83 CTSK (0.55) CTSKKCNA3DRD2BTKCCR5
SCHEMBL27460572 0.83 CTSK (0.55) CTSKKCNA3DRD2BTKCCR5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240336593-A1 Compound Having Antitumor Activity And Use Thereof INNOVSTONE THERAPEUTICS LIMITED (CN) 2024-10-10 US disclosed
EP-4209485-A1 COMPOUND HAVING ANTITUMOR ACTIVITY AND USE THEREOF Innovstone Therapeutics Limited (CN) 2023-07-12 EP disclosed
EP-4209485-A1 COMPOUND HAVING ANTITUMOR ACTIVITY AND USE THEREOF Innovstone Therapeutics Limited (CN) 2023-07-12 EP disclosed
WO-2022048631-A1 COMPOUND HAVING ANTITUMOR ACTIVITY AND USE THEREOF 上海翊石医药科技有限公司 2022-03-10 WO disclosed
EP-3390384-B1 QUINOLINE-3-CARBOXAMIDES AS H-PGDS INHIBITORS ASTEX THERAPEUTICS LTD (GB) 2021-09-15 EP disclosed
US-20210238162-A1 CHEMICAL COMPOUNDS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2021-08-05 US disclosed
US-11053234-B2 1,3 di-substituted cyclobutane or azetidine derivatives as hematopoietic prostaglandin D synthase inhibitors GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2021-07-06 US disclosed
US-20190241554-A1 1,3 DI-SUBSTITUTED CYCLOBUTANE OR AZETIDINE DERIVATIVES AS HEMATOPOIETIC PROSTAGLANDIN D SYNTHASE INHIBITORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2019-08-08 US disclosed
CN-108430992-A QUINOLINE-3-CARBOXAMIDES AS H-PGDS INHIBITORS 阿斯特克斯医疗公司 2018-08-21 CN disclosed
WO-2018069863-A1 1,3 DI-SUBSTITUTED CYCLOBUTANE OR AZETIDINE DERIVATIVES AS HEMATOPOIETIC PROSTAGLANDIN D SYNTHASE INHIBITORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2018-04-19 WO disclosed
US-8003785-B2 Halo-substituted pyrimidodiazepines TAKEDA PHARMACEUTICAL COMPANY LIMITED (US) 2011-08-23 US disclosed
US-20090318408-A1 HALO-SUBSTITUTED PYRIMIDODIAZEPINES TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-12-24 US disclosed
EP-1228070-B1 HETEROALKYLAMINO-SUBSTITUTED BICYCLIC NITROGEN HETEROCYCLES AS INHIBITORS OF P38 PROTEIN KINASE HOFFMANN LA ROCHE (CH) 2007-02-07 EP disclosed
US-6861423-B2 Methods of treating p38 kinase-mediated disorders with pyrido[2,3-d]pyrimidin-7-one compounds SYNTEX (U.S.A.) LLC (US) 2005-03-01 US disclosed
US-20030153586-A1 7-oxo-pyridopyrimidines (I) SYNTEX (U.S.A) LLC 2003-08-14 US disclosed
US-6506749-B2 Mitogen-activated protein kinases inhibitors SYNTEX (U.S.A.) LLC 2003-01-14 US disclosed
US-20020137756-A1 Mitogen-activated protein kinases inhibitors SYNTEX (U.S.A.) LLC 2002-09-26 US disclosed
US-6451804-B1 Heteroalkylamino-substituted bicyclic nitrogen heterocycles SYNTEX (U.S.A.) LLC 2002-09-17 US disclosed
EP-1228070-A1 HETEROALKYLAMINO-SUBSTITUTED BICYCLIC NITROGEN HETEROCYCLES AS INHIBITORS OF P38 PROTEIN KINASE F. HOFFMANN-LA ROCHE AG (CH) 2002-08-07 EP disclosed
WO-2001029042-A1 HETEROALKYLAMINO-SUBSTITUTED BICYCLIC NITROGEN HETEROCYCLES AS INHIBITORS OF P38 PROTEIN KINASE F. HOFFMANN-LA ROCHE AG (CH) 2001-04-26 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 (7 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-11053234-B2 1,3 di-substituted cyclobutane or azetidine derivatives as hematopoietic prostaglandin D synthase inhibitors HPGDS, PTGDR, PTGER1 CTSK 3215/4885KCNA3 3775/4885HPGDS 1/4885
US-20190241554-A1 1,3 DI-SUBSTITUTED CYCLOBUTANE OR AZETIDINE DERIVATIVES AS HEMATOPOIETIC PROSTAGLANDIN D SYNTHASE INHIBITORS HPGDS, PTGDR, PTGER1 CTSK 3215/4885KCNA3 3775/4885HPGDS 1/4885
US-20020137756-A1 Mitogen-activated protein kinases inhibitors MAPK1, MAP3K1, CDK1 CTSK 2445/4885KCNA3 3649/4885HPGDS 2383/4885
US-20240336593-A1 Compound Having Antitumor Activity And Use Thereof PRMT5, PRMT1, PRMT6 CTSK 4219/4885KCNA3 4533/4885HPGDS 3420/4885
US-20030153586-A1 7-oxo-pyridopyrimidines (I) AR, PARP1, DPYD CTSK 4162/4885KCNA3 1186/4885HPGDS 3474/4885
US-20210238162-A1 CHEMICAL COMPOUNDS HPGDS, PTGS1, PTGIS CTSK 2764/4885KCNA3 2805/4885HPGDS 1/4885
US-20090318408-A1 HALO-SUBSTITUTED PYRIMIDODIAZEPINES PLK1, CCNI, CDK1 CTSK 2911/4885KCNA3 2185/4885HPGDS 209/4885

“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.