SCHEMBL1754077

SCHEMBL1754077

CC(C)(C)c1cc(F)cc(C(F)(F)F)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 1/20 0.44
GABRB2 P47870 1/20 0.44
KIF11 P52732 1/20 0.39
CES2 O00748 1/20 0.39
RXRA P19793 1/20 0.36
RXRB P28702 1/20 0.36
RXRG P48443 1/20 0.36
POLB P06746 1/20 0.36
IDO1 P14902 2/20 0.35
MAPT P10636 2/20 0.35
RAPGEF4 Q8WZA2 1/20 0.35
PTPN7 P35236 1/20 0.33
DUSP3 P51452 1/20 0.33
AR P10275 1/20 0.33
XPO1 O14980 1/20 0.33
KCNH2 Q12809 1/20 0.33
KDM4E B2RXH2 1/20 0.33
GAA P10253 1/20 0.33
FFAR4 Q5NUL3 1/20 0.33
PGR P06401 1/20 0.33

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
SCHEMBL22861023 0.89 GABRB2 (0.52) GABRA1GABRB2KIF11CES2POLB
SCHEMBL1104677 0.89 GABRB2 (0.52) GABRA1GABRB2KIF11CES2POLB
SCHEMBL10183605 0.89 GABRA1 (0.52) GABRA1GABRB2RXRARXRBRXRG
SCHEMBL4461544 0.87 CES2 (0.48) CES2RXRARXRBRXRGIDO1
SCHEMBL12553838 0.85 GABRA1 (0.44) GABRA1GABRB2KIF11RXRARXRB
SCHEMBL179354 0.84 GABRA1 (0.46) GABRA1GABRB2KIF11CES2RXRA
SCHEMBL15077166 0.82 GABRB2 (0.46) GABRA1GABRB2KIF11CES2POLB
SCHEMBL20937029 0.81 CES2 (0.37) CES2RXRARXRBRXRGIDO1
SCHEMBL9693899 0.81 CES2 (0.42) CES2RXRARXRBRXRGIDO1
SCHEMBL3439602 0.80 RAPGEF4 (0.48) GABRA1GABRB2KIF11CES2RXRA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12030904-B2 Phospholipid compounds and uses thereof GILEAD SCIENCES, INC. (US) 2024-07-09 US disclosed
US-20240025932-A1 PHOSPHOLIPID COMPOUNDS AND USES THEREOF GILEAD SCIENCES, INC. 2024-01-25 US disclosed
US-20230348416-A1 GPR52 MODULATOR COMPOUNDS HEPTARES THERAPEUTICS LIMITED (GB) 2023-11-02 US disclosed
US-20230348416-A1 GPR52 MODULATOR COMPOUNDS HEPTARES THERAPEUTICS LIMITED (GB) 2023-11-02 US disclosed
US-11773122-B2 Phospholipid compounds and uses thereof GILEAD SCIENCES. INC. (US) 2023-10-03 US disclosed
US-20230250117-A1 PHOSPHOLIPID COMPOUNDS AND USES THEREOF GILEAD SCIENCES, INC. 2023-08-10 US disclosed
US-20230242531-A1 Monoacylglycerol Lipase Modulators JANSSEN PHARMACEUTICA NV (BE) 2023-08-03 US disclosed
US-11648254-B2 Substituted pyrido[2,3-d]pyrimidines as inhibitors of Ras pathway signaling KUMQUAT BIOSCIENCES INC. (US) 2023-05-16 US disclosed
US-11648254-B2 Substituted pyrido[2,3-d]pyrimidines as inhibitors of Ras pathway signaling KUMQUAT BIOSCIENCES INC. (US) 2023-05-16 US disclosed
US-20230064360-A1 HETEROCYCLES AND USES THEREOF KUMQUAT BIOSCIENCES INC. 2023-03-02 US disclosed
US-20090105275-A1 PIPERIDINYL AND PIPERAZINYL MODULATORS OF y-SECRETASE JANSSEN PHARMACEUTICA N.V. (BE) 2009-04-23 US disclosed
US-7402674-B2 7-Phenylamino-4-quinolone-3-carboxylic acid derivatives, process for their preparation and their use as medicaments SANOFI-AVENTIS DEUTSCHLAND GMBH, (DE) 2008-07-22 US disclosed
US-20080097078-A1 Antibacterial activity against vancomycin-resistant bacteria SHIONOGI & CO., LTD. (JP) 2008-04-24 US disclosed
US-20080096874-A1 Oxadiazole Derivative as Dgat Inhibitors ASTRAZENECA AB (SE) 2008-04-24 US disclosed
US-20070179167-A1 Inhibitors of serine proteases VERTEX PHARMACEUTICALS INCORPORATED 2007-08-02 US disclosed
US-20070161685-A1 HETEROCYCLIC CETP INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2007-07-12 US disclosed
US-20070135631-A1 HETEROCYCLIC CETP INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2007-06-14 US disclosed
US-20070015758-A1 Novel benzylamine derivatives and their utility as cholesterol ester-transfer protein inhibitors DR. REDDY'S LABORATORIES LTD. (IN) 2007-01-18 US disclosed
US-20070015758-A1 Novel benzylamine derivatives and their utility as cholesterol ester-transfer protein inhibitors DR. REDDY'S LABORATORIES LTD. (IN) 2007-01-18 US disclosed
US-20040082578-A1 Arylindenopyridines and related therapeutic and prophylactic methods ORTHO-MCNEIL PHARMACEUTICAL, INC. 2004-04-29 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-20090105275-A1 PIPERIDINYL AND PIPERAZINYL MODULATORS OF y-SECRETASE BACE1, BACE2, PSEN1 GABRA1 998/4885GABRB2 823/4885KIF11 4738/4885
US-20070161685-A1 HETEROCYCLIC CETP INHIBITORS CETP, CES1, NPC1 GABRA1 4260/4885GABRB2 4164/4885KIF11 4469/4885
US-11648254-B2 Substituted pyrido[2,3-d]pyrimidines as inhibitors of Ras pathway signaling KRAS, NRAS, BRAF GABRA1 3208/4885GABRB2 3280/4885KIF11 3998/4885
US-20230242531-A1 Monoacylglycerol Lipase Modulators MGLL, LPL, PNLIP GABRA1 859/4885GABRB2 430/4885KIF11 2128/4885
US-20040082578-A1 Arylindenopyridines and related therapeutic and prophylactic methods ADORA2A, ADORA1, PDE2A GABRA1 500/4885GABRB2 386/4885KIF11 4533/4885
US-20070135631-A1 HETEROCYCLIC CETP INHIBITORS CETP, CES1, NPC1 GABRA1 4260/4885GABRB2 4164/4885KIF11 4469/4885
US-20230064360-A1 HETEROCYCLES AND USES THEREOF KRAS, HRAS, TP53 GABRA1 3509/4885GABRB2 3193/4885KIF11 4463/4885
US-20230348416-A1 GPR52 MODULATOR COMPOUNDS GPR52, GPR119, FFAR2 GABRA1 342/4885GABRB2 205/4885KIF11 3309/4885
US-12030904-B2 Phospholipid compounds and uses thereof PHOSPHO1, SGMS2, SGMS1 GABRA1 4382/4885GABRB2 4224/4885KIF11 4039/4885
US-20230250117-A1 PHOSPHOLIPID COMPOUNDS AND USES THEREOF PHOSPHO1, SGMS2, SGMS1 GABRA1 4382/4885GABRB2 4224/4885KIF11 4039/4885
US-20070015758-A1 Novel benzylamine derivatives and their utility as cholesterol ester-transfer protein inhibitors CETP, NPC1, DBI GABRA1 3300/4885GABRB2 2842/4885KIF11 3959/4885
US-20070179167-A1 Inhibitors of serine proteases PRSS1, PRSS3, PRSS2 GABRA1 4356/4885GABRB2 4615/4885KIF11 4233/4885
US-20080096874-A1 Oxadiazole Derivative as Dgat Inhibitors DGAT1, DGAT2, GPR119 GABRA1 1161/4885GABRB2 628/4885KIF11 3419/4885
US-20240025932-A1 PHOSPHOLIPID COMPOUNDS AND USES THEREOF PHOSPHO1, SGMS2, SGMS1 GABRA1 4382/4885GABRB2 4224/4885KIF11 4039/4885
US-20080097078-A1 Antibacterial activity against vancomycin-resistant bacteria CSGALNACT1, MON2, NR2C2 GABRA1 699/4885GABRB2 772/4885KIF11 4416/4885
US-11773122-B2 Phospholipid compounds and uses thereof PHOSPHO1, SGMS2, SGMS1 GABRA1 4382/4885GABRB2 4224/4885KIF11 4039/4885

“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.