SCHEMBL3345289

SCHEMBL3345289

CC(C)(C)OC(=O)N[C@]1(C(=O)O)C[C@H]1C(F)F

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.38
MEN1 O00255 2/20 0.38
MAPK1 P28482 1/20 0.38
APLNR P35414 1/20 0.38
BTK Q06187 1/20 0.33
GAA P10253 1/20 0.33
HDAC4 P56524 1/20 0.32
HDAC1 Q13547 1/20 0.32
CTSS P25774 1/20 0.32
CTSK P43235 1/20 0.32
NFKB1 P19838 1/20 0.31
NFKB2 Q00653 1/20 0.31
RELA Q04206 1/20 0.31
DGAT1 O75907 1/20 0.31
DPP8 Q6V1X1 1/20 0.31
DPP9 Q86TI2 1/20 0.31
EPHX2 P34913 1/20 0.31
CACNA1H O95180 1/20 0.30
CA1 P00915 1/20 0.30
CA2 P00918 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
SCHEMBL20107170 1.00 KMT2A (0.38) KMT2AMEN1MAPK1APLNRBTK
SCHEMBL634842 1.00 KMT2A (0.38) KMT2AMEN1MAPK1APLNRBTK
SCHEMBL22380465 0.87 MEN1 (0.38) KMT2AMEN1MAPK1APLNRBTK
SCHEMBL22380661 0.87 MEN1 (0.38) KMT2AMEN1MAPK1APLNRBTK
SCHEMBL635108 0.87 MEN1 (0.38) KMT2AMEN1MAPK1APLNRBTK
SCHEMBL9666907 0.86 KMT2A (0.39) KMT2AMEN1MAPK1APLNRBTK
SCHEMBL19558543 0.82 APLNR (0.37) KMT2AMEN1MAPK1APLNRHDAC4
SCHEMBL13748923 0.82 APLNR (0.37) KMT2AMEN1MAPK1APLNRHDAC4
SCHEMBL19174581 0.80 APLNR (0.35) KMT2AMEN1MAPK1APLNRHDAC4
SCHEMBL27872243 0.79 MEN1 (0.43) KMT2AMEN1MAPK1APLNRBTK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3825312-A1 INTERMEDIATES FOR PREPARING INHIBITORS OF HEPATITIS C VIRUS Gilead Pharmasset LLC (US) 2021-05-26 EP disclosed
US-20210087592-A1 ENZYMATIC PROCESSES FOR THE PREPARATION OF (±)-2-(DIFLUOROMETHYL)-1-(ALKOXYCARBONYL)-CYCLOPROPANECARBOXYLIC ACID AND (±)-2-(VINYL)-1-(ALKOXYCARBONYL)-CYCLOPROPANECARBOXYLIC ACID ABBVIE INC. 2021-03-25 US disclosed
US-20210087592-A1 ENZYMATIC PROCESSES FOR THE PREPARATION OF (±)-2-(DIFLUOROMETHYL)-1-(ALKOXYCARBONYL)-CYCLOPROPANECARBOXYLIC ACID AND (±)-2-(VINYL)-1-(ALKOXYCARBONYL)-CYCLOPROPANECARBOXYLIC ACID ABBVIE INC. 2021-03-25 US disclosed
US-10689675-B2 Enzymatic processes for the preparation of (±)-2-(difluoromethyl)-1-(alkoxycarbonyl)-cyclopropanecarboxylic acid and (±)-2-(vinyl)-1-(alkoxycarbonyl)-cyclopropanecarboxylic acid ABBVIE INC. (US) 2020-06-23 US disclosed
US-10689675-B2 Enzymatic processes for the preparation of (±)-2-(difluoromethyl)-1-(alkoxycarbonyl)-cyclopropanecarboxylic acid and (±)-2-(vinyl)-1-(alkoxycarbonyl)-cyclopropanecarboxylic acid ABBVIE INC. (US) 2020-06-23 US disclosed
CN-110461812-A Enzymatic process for the preparation of (+ -) -2- (difluoromethyl) -1- (alkoxycarbonyl) -cyclopropanecarboxylic acid and (+ -) -2- (vinyl) -1- (alkoxycarbonyl) -cyclopropanecarboxylic acid ABBVIE INC 2019-11-15 CN disclosed
US-10335409-B2 Inhibitors of hepatitis C virus GILEAD PHARMASSET LLC (US) 2019-07-02 US disclosed
US-10316338-B1 Enzymatic process for the preparation of (1S,2R)-2-(difluoromethyl)-1-(propoxycarbonyl)cyclopropanecarboxylic acid ABB VIE INC. (US) 2019-06-11 US disclosed
EP-3492464-A1 INTERMEDIATES FOR PREPARING INHIBITORS OF HEPATITIS C VIRUS Gilead Sciences, Inc. (US) 2019-06-05 EP disclosed
EP-2970335-B1 MACROCYCLIC AND BICYCLIC INHIBITORS OF HEPATITIS C VIRUS GILEAD SCIENCES INC (US) 2019-05-08 EP disclosed
US-20090238794-A1 FLUORINATED MACROCYCLIC COMPOUNDS AS HEPATITIS C VIRUS INHIBITORS ENANTA PHARMACEUTICALS, INC. 2009-09-24 US disclosed
US-20090238794-A1 FLUORINATED MACROCYCLIC COMPOUNDS AS HEPATITIS C VIRUS INHIBITORS ENANTA PHARMACEUTICALS, INC. 2009-09-24 US disclosed
WO-2009117594-A1 FLUORINATED MACROCYCLIC COMPOUNDS AS HEPATITIS C VIRUS INHIBITORS ENANTA PHARMACEUTICALS, INC. (US) 2009-09-24 WO disclosed
US-20090202486-A1 DIFLUORINATED TRIPEPTIDES AS HCV SERINE PROTEASE INHIBITORS ENANTA PHARMACEUTICALS, INC. 2009-08-13 US disclosed
US-20090202486-A1 DIFLUORINATED TRIPEPTIDES AS HCV SERINE PROTEASE INHIBITORS ENANTA PHARMACEUTICALS, INC. 2009-08-13 US disclosed
US-20090202485-A1 HETEROARYL-CONTAINING TRIPEPTIDE HCV SERINE PROTEASE INHIBITORS ENANTA PHARMACEUTICALS, INC. 2009-08-13 US disclosed
US-20090202485-A1 HETEROARYL-CONTAINING TRIPEPTIDE HCV SERINE PROTEASE INHIBITORS ENANTA PHARMACEUTICALS, INC. 2009-08-13 US disclosed
WO-2009094438-A1 HETEROARYL-CONTAINING TRIPEPTIDE HCV SERINE PROTEASE INHIBITORS ENANTA PHARMACEUTICALS, INC. (US) 2009-07-30 WO disclosed
WO-2009094443-A1 DIFLUORINATED TRIPEPTIDES AS HCV SERINE PROTEASE INHIBITORS ENANTA PHARMACEUTICALS, INC. (US) 2009-07-30 WO disclosed
WO-2009064975-A1 QUINOXALINE-CONTAINING COMPOUNDS AS HEPATITIS C VIRUS INHIBITORS ENANTA PHARMACEUTICALS, INC. (US) 2009-05-22 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 (6 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-20210087592-A1 ENZYMATIC PROCESSES FOR THE PREPARATION OF (±)-2-(DIFLUOROMETHYL)-1-(ALKOXYCARBONYL)-CYCLOPROPANECARBOXYLIC ACID AND (±)-2-(VINYL)-1-(ALKOXYCARBONYL)-CYCLOPROPANECARBOXYLIC ACID CTRL, DNPEP, CPN1 KMT2A 1837/4885MEN1 3775/4885MAPK1 1415/4885
US-20090202486-A1 DIFLUORINATED TRIPEPTIDES AS HCV SERINE PROTEASE INHIBITORS CTSC, DPP4, DNPEP KMT2A 2385/4885MEN1 4325/4885MAPK1 1906/4885
US-20090202485-A1 HETEROARYL-CONTAINING TRIPEPTIDE HCV SERINE PROTEASE INHIBITORS PRSS1, CTSC, SPINT2 KMT2A 2661/4885MEN1 4578/4885MAPK1 2952/4885
US-10689675-B2 Enzymatic processes for the preparation of (±)-2-(difluoromethyl)-1-(alkoxycarbonyl)-cyclopropanecarboxylic acid and (±)-2-(vinyl)-1-(alkoxycarbonyl)-cyclopropanecarboxylic acid CTRL, DNPEP, CPN1 KMT2A 1837/4885MEN1 3775/4885MAPK1 1415/4885
US-20090238794-A1 FLUORINATED MACROCYCLIC COMPOUNDS AS HEPATITIS C VIRUS INHIBITORS CTSC, SPINT2, CTSV KMT2A 2790/4885MEN1 3944/4885MAPK1 2440/4885
US-10335409-B2 Inhibitors of hepatitis C virus HAVCR2, SLC10A1, GOT1 KMT2A 4606/4885MEN1 3419/4885MAPK1 3681/4885

“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.