SCHEMBL6743200

SCHEMBL6743200

CC(C)(C)c1ccc(C(F)(F)F)cc1F

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PDE2A O00408 9/20 0.47
KIF11 P52732 3/20 0.44
HDAC3 O15379 1/20 0.43
HDAC1 Q13547 1/20 0.43
HDAC2 Q92769 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43
CES2 O00748 2/20 0.42
IDO1 P14902 2/20 0.42
APP P05067 1/20 0.40
GAA P10253 1/20 0.39
MPL P40238 1/20 0.38

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
SCHEMBL25452983 0.87 PDE2A (0.35) PDE2AKIF11HDAC3HDAC1HDAC2
SCHEMBL1694994 0.86 ALDH1A1 (0.43) PDE2AKIF11HDAC3HDAC1HDAC2
SCHEMBL7601744 0.84 CES2 (0.52) PDE2AKIF11CES2IDO1MPL
SCHEMBL4792748 0.83 KIF11 (0.46) PDE2AKIF11
SCHEMBL9967853 0.83 KIF11 (0.44) PDE2AKIF11CES2IDO1APP
SCHEMBL19170782 0.82 KIF11 (0.47) PDE2AKIF11CES2
SCHEMBL13130675 0.81 ALDH1A1 (0.34) PDE2AKIF11HDAC3HDAC1HDAC2
SCHEMBL24836121 0.80 PDE2A (0.47) PDE2AKIF11HDAC3HDAC1HDAC2
SCHEMBL11999123 0.80 PDE2A (0.58) PDE2AKIF11CES2
SCHEMBL8220447 0.80 PDE2A (0.49) PDE2AKIF11CES2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11912822-B2 Process of manufacturing polyols DOW GLOBAL TECHNOLOGIES LLC (US) 2024-02-27 US disclosed
US-11912822-B2 Process of manufacturing polyols DOW GLOBAL TECHNOLOGIES LLC (US) 2024-02-27 US disclosed
US-11912711-B2 Heterocyclic compounds as triggering receptor expressed on myeloid cells 2 agonists and methods of use AMGEN INC. (US) 2024-02-27 US disclosed
US-20230399342-A1 TRICYCLIC TRIAZOLO COMPOUNDS AS DGK INHIBITORS INCYTE CORPORATION 2023-12-14 US disclosed
US-20230312803-A1 POLYURETHANE COMPOSITION DOW GLOBAL TECHNOLOGIES LLC 2023-10-05 US disclosed
US-20230312803-A1 POLYURETHANE COMPOSITION DOW GLOBAL TECHNOLOGIES LLC 2023-10-05 US disclosed
US-20230295169-A1 HETEROCYCLIC COMPOUNDS AS TRIGGERING RECEPTOR EXPRESSED ON MYELOID CELLS 2 AGONISTS AND METHODS OF USE AMGEN INC. 2023-09-21 US disclosed
US-20230295170-A1 HETEROCYCLIC COMPOUNDS AS TRIGGERING RECEPTOR EXPRESSED ON MYELOID CELLS 2 AGONISTS AND METHODS OF USE AMGEN INC. 2023-09-21 US disclosed
US-20230295170-A1 HETEROCYCLIC COMPOUNDS AS TRIGGERING RECEPTOR EXPRESSED ON MYELOID CELLS 2 AGONISTS AND METHODS OF USE AMGEN INC. 2023-09-21 US disclosed
US-20230295169-A1 HETEROCYCLIC COMPOUNDS AS TRIGGERING RECEPTOR EXPRESSED ON MYELOID CELLS 2 AGONISTS AND METHODS OF USE AMGEN INC. 2023-09-21 US disclosed
US-20100216768-A1 N-SUBSTITUTED AZAINDOLES AND METHODS OF USE GENENTECH, INC. 2010-08-26 US disclosed
US-20100216768-A1 N-SUBSTITUTED AZAINDOLES AND METHODS OF USE GENENTECH, INC. 2010-08-26 US disclosed
US-20100137315-A1 Sphingosine Kinase Inhibitors and Methods of Their Use APOGEE BIOTECHNOLOGY CORPORATION (US) 2010-06-03 US disclosed
US-20100137315-A1 Sphingosine Kinase Inhibitors and Methods of Their Use APOGEE BIOTECHNOLOGY CORPORATION (US) 2010-06-03 US disclosed
US-20100010093-A1 ANTIPARASITIC AGENTS PFIZER LIMITED (GB) 2010-01-14 US disclosed
US-7608604-B2 Antiparasitic agents PFIZER LIMITED (GB) 2009-10-27 US disclosed
US-20080312435-A1 Imine Compound TAISHO PHARMACEUTICAL CO., LTD. (JP) 2008-12-18 US disclosed
US-20080194694-A1 nematocides such as N-{1-cyano-2-[5-cyano-2-(trifluoromethyl)phenoxy]-1-methylethyl}-4-pentafluorothiobenzamide, tautomers or prodrugs, carriers and optionally a second therapeutic agent, used for treating parasitic infestations PFIZER LIMITED (UK) 2008-08-14 US disclosed
US-20070135631-A1 HETEROCYCLIC CETP INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2007-06-14 US disclosed
US-20070032531-A1 SPHINGOSINE KINASE INHIBITORS AND METHODS OF THEIR USE APOGEE BIOTECHNOLOGY CORPORATION (US) 2007-02-08 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 (12 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-20080312435-A1 Imine Compound CNR1, CNR2, HRH4 PDE2A 3948/4885KIF11 3410/4885HDAC3 497/4885
US-20080194694-A1 nematocides such as N-{1-cyano-2-[5-cyano-2-(trifluoromethyl)phenoxy]-1-methylethyl}-4-pentafluorothiobenzamide, tautomers or prodrugs, carriers and optionally a second therapeutic agent, used for treating parasitic infestations HRH4, HRH3, HRH2 PDE2A 3598/4885KIF11 2214/4885HDAC3 37/4885
US-20070032531-A1 SPHINGOSINE KINASE INHIBITORS AND METHODS OF THEIR USE SPHK1, SPHK2, S1PR2 PDE2A 1337/4885KIF11 2802/4885HDAC3 1216/4885
US-20070135631-A1 HETEROCYCLIC CETP INHIBITORS CETP, CES1, NPC1 PDE2A 2430/4885KIF11 4469/4885HDAC3 22/4885
US-11912822-B2 Process of manufacturing polyols MRPL21, RER1, PCBP1 PDE2A 4844/4885KIF11 1941/4885HDAC3 3659/4885
US-20100010093-A1 ANTIPARASITIC AGENTS HRH3, CYTH3, HRH4 PDE2A 1893/4885KIF11 2138/4885HDAC3 89/4885
US-20100137315-A1 Sphingosine Kinase Inhibitors and Methods of Their Use SPHK1, SPHK2, S1PR2 PDE2A 1289/4885KIF11 2748/4885HDAC3 1235/4885
US-11912711-B2 Heterocyclic compounds as triggering receptor expressed on myeloid cells 2 agonists and methods of use MSR1, FPR2, CD14 PDE2A 2161/4885KIF11 4868/4885HDAC3 4321/4885
US-20100216768-A1 N-SUBSTITUTED AZAINDOLES AND METHODS OF USE MKI67, CCNI, CDKN1A PDE2A 890/4885KIF11 2888/4885HDAC3 1113/4885
US-20230295169-A1 HETEROCYCLIC COMPOUNDS AS TRIGGERING RECEPTOR EXPRESSED ON MYELOID CELLS 2 AGONISTS AND METHODS OF USE MSR1, FPR2, CD14 PDE2A 2161/4885KIF11 4868/4885HDAC3 4321/4885
US-20230399342-A1 TRICYCLIC TRIAZOLO COMPOUNDS AS DGK INHIBITORS DGKA, DGKI, DGKG PDE2A 1862/4885KIF11 1995/4885HDAC3 468/4885
US-20230295170-A1 HETEROCYCLIC COMPOUNDS AS TRIGGERING RECEPTOR EXPRESSED ON MYELOID CELLS 2 AGONISTS AND METHODS OF USE MSR1, FPR2, CD14 PDE2A 2161/4885KIF11 4868/4885HDAC3 4321/4885

“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.