SCHEMBL102298

SCHEMBL102298

CC(C)(C)c1cccc(OC(F)(F)F)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 1/20 0.49
CYP3A4 P08684 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
CETP P11597 6/20 0.44
ACHE P22303 1/20 0.44
SOD1 P00441 1/20 0.43
KCNH2 Q12809 2/20 0.42
TRPV1 Q8NER1 2/20 0.42
SCN10A Q9Y5Y9 1/20 0.42
LMNA P02545 1/20 0.42
POLB P06746 1/20 0.42
HTT P42858 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
CHRM2 P08172 1/20 0.41
CHRM1 P11229 1/20 0.41
CHRM3 P20309 1/20 0.41
CCR6 P51684 1/20 0.41
HDAC4 P56524 1/20 0.40
HDAC2 Q92769 1/20 0.40

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
SCHEMBL25094106 0.89 KIF11 (0.50) KIF11ACHEKCNH2TRPV1SCN10A
SCHEMBL12163571 0.88 CYP3A4 (0.45) KIF11CYP3A4CYP2C9CYP2C19CETP
SCHEMBL4968089 0.85 KIF11 (0.50) KIF11CYP3A4CYP2C9CETPKCNH2
SCHEMBL13439848 0.84 MAOB (0.54) CETPSOD1HTTL3MBTL1
SCHEMBL11527555 0.83 KIF11 (0.51) KIF11CETPL3MBTL1
SCHEMBL13649193 0.83 CYP3A4 (0.47) KIF11CYP3A4CYP2C9CYP2C19CETP
SCHEMBL12247693 0.83 CETP (0.54) CYP3A4CYP2C9CYP2C19CETPACHE
SCHEMBL17552755 0.83 KIF11 (0.49) KIF11CYP2C9CETPKCNH2SCN10A
SCHEMBL21695566 0.82 CYP3A4 (0.44) KIF11CYP3A4CYP2C9CYP2C19CETP
SCHEMBL13439845 0.81 NR4A1 (0.51) CETPSOD1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240239776-A1 AZASPIROCYCLES AS MONOACYLGLYCEROL LIPASE MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2024-07-18 US disclosed
US-20240239776-A1 AZASPIROCYCLES AS MONOACYLGLYCEROL LIPASE MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2024-07-18 US disclosed
US-20230382902-A1 MONOACYLGLYCEROL LIPASE MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2023-11-30 US disclosed
US-20230382902-A1 MONOACYLGLYCEROL LIPASE MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2023-11-30 US disclosed
US-11820766-B2 Monoacylglycerol lipase modulators JANSSEN PHARMACEUTICA NV (BE) 2023-11-21 US disclosed
US-20230355617-A1 SMALL MOLECULE INHIBITORS OF LEMUR TYROSINE KINASE 3 THE UNIVERSITY OF SUSSEX (GB) 2023-11-09 US disclosed
US-20230339871-A1 COMPOUNDS AND METHODS OF MODULATING 17B-HYDROXYSTEROID DEHYDROGENASE TYPE 13 METREA BIOSCIENCES INC (US) 2023-10-26 US disclosed
US-11786500-B2 Glutaminase inhibitor therapy BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2023-10-17 US disclosed
US-11786500-B2 Glutaminase inhibitor therapy BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2023-10-17 US disclosed
US-11786528-B2 Pyrazolopyrimidine compounds as adenosine receptor antagonists EXSCIENTIA LTD. (GB) 2023-10-17 US disclosed
US-20070161685-A1 HETEROCYCLIC CETP INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2007-07-12 US disclosed
US-20070155737-A1 Heterobicyclic metalloprotease inhibitors ALANTOS PHARMACEUTICALS, INC. 2007-07-05 US disclosed
US-20070142384-A1 Compounds, pharmaceutical compositions and methods for use in treating metabolic disorders AMGEN INC. (US) 2007-06-21 US disclosed
US-20070135631-A1 HETEROCYCLIC CETP INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2007-06-14 US disclosed
US-7217712-B2 4-Substituted-5-cyano-1H-pyrimidin-6-(thi)ones as GSK-3 inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2007-05-15 US disclosed
US-20070066598-A1 Compounds BIOVITRUM AB, A SWEDEN CORPORATION 2007-03-22 US disclosed
US-20070066599-A1 New compounds BIOVITRUM AB, A SWEDEN CORPORATION 2007-03-22 US disclosed
US-20070066600-A1 Compounds PROXIMAGEN NEUROSCIENCE PLC (GB) 2007-03-22 US disclosed
US-20070037855-A1 Compounds for inhibiting beta-amyloid production and methods of identifying the compounds ALZHEIMER'S INSTITUTE OF AMERICA, INC. 2007-02-15 US disclosed
US-20070027321-A1 Bipyridyl amines and ethers as modulators of metabotropic glutamate receptor-5 MERCK SHARP & DOHME CORP. 2007-02-01 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 (16 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-20070155737-A1 Heterobicyclic metalloprotease inhibitors ADAMTS4, ADAMTS1, ADAMTS5 KIF11 3334/4885CYP3A4 819/4885CYP2C9 2239/4885
US-20070161685-A1 HETEROCYCLIC CETP INHIBITORS CETP, CES1, NPC1 KIF11 4469/4885CYP3A4 537/4885CYP2C9 769/4885
US-20070066599-A1 New compounds SULT2A1, GPR119, STS KIF11 4500/4885CYP3A4 1195/4885CYP2C9 458/4885
US-11786528-B2 Pyrazolopyrimidine compounds as adenosine receptor antagonists ADORA1, ADORA3, ADORA2A KIF11 3584/4885CYP3A4 135/4885CYP2C9 131/4885
US-20070135631-A1 HETEROCYCLIC CETP INHIBITORS CETP, CES1, NPC1 KIF11 4469/4885CYP3A4 537/4885CYP2C9 769/4885
US-20070066598-A1 Compounds SULT2A1, STS, SLC5A2 KIF11 4505/4885CYP3A4 976/4885CYP2C9 223/4885
US-20230382902-A1 MONOACYLGLYCEROL LIPASE MODULATORS MGLL, LPL, LIPC KIF11 3440/4885CYP3A4 1924/4885CYP2C9 1213/4885
US-20230355617-A1 SMALL MOLECULE INHIBITORS OF LEMUR TYROSINE KINASE 3 LMTK3, LMTK2, LIMK1 KIF11 2168/4885CYP3A4 4443/4885CYP2C9 4163/4885
US-11786500-B2 Glutaminase inhibitor therapy ASNS, GLS, GLS2 KIF11 4629/4885CYP3A4 3555/4885CYP2C9 3215/4885
US-20070037855-A1 Compounds for inhibiting beta-amyloid production and methods of identifying the compounds APP, PSEN1, PSEN2 KIF11 4814/4885CYP3A4 3885/4885CYP2C9 4440/4885
US-20240239776-A1 AZASPIROCYCLES AS MONOACYLGLYCEROL LIPASE MODULATORS MGLL, LPL, LPAR1 KIF11 2948/4885CYP3A4 856/4885CYP2C9 1089/4885
US-20070027321-A1 Bipyridyl amines and ethers as modulators of metabotropic glutamate receptor-5 GRM5, GRIK5, GRM1 KIF11 2678/4885CYP3A4 1798/4885CYP2C9 1313/4885
US-20070066600-A1 Compounds SULT2A1, STS, SLC5A2 KIF11 4505/4885CYP3A4 976/4885CYP2C9 223/4885
US-20230339871-A1 COMPOUNDS AND METHODS OF MODULATING 17B-HYDROXYSTEROID DEHYDROGENASE TYPE 13 HSD17B1, HSD17B13, HSD17B11 KIF11 3161/4885CYP3A4 394/4885CYP2C9 793/4885
US-20070142384-A1 Compounds, pharmaceutical compositions and methods for use in treating metabolic disorders PNLIP, IAPP, GPR119 KIF11 3425/4885CYP3A4 762/4885CYP2C9 976/4885
US-11820766-B2 Monoacylglycerol lipase modulators MGLL, LPL, PNLIP KIF11 2411/4885CYP3A4 1414/4885CYP2C9 1000/4885

“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.