SCHEMBL1044713

SCHEMBL1044713

O=C(c1cccc(B(O)O)c1)C(F)(F)F

nearest known ligand 0.58

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ACHE P22303 2/20 0.54
CES1 P23141 2/20 0.53
MGLL Q99685 2/20 0.52
ENPP2 Q13822 3/20 0.44
CES2 O00748 1/20 0.42
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 1/20 0.42
HDAC6 Q9UBN7 1/20 0.41
PARP1 P09874 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
SCHEMBL8755253 0.82 CES1 (0.70) ACHECES1CES2HDAC6PARP1
SCHEMBL13967266 0.81 ENPP2 (0.44) ACHEMGLLENPP2KDM4EALDH1A1
SCHEMBL3784519 0.80 CES1 (0.45) ACHECES1MGLL
SCHEMBL30166168 0.80 CES1 (0.65) ACHECES1CES2HDAC6PARP1
SCHEMBL1273634 0.80 CES1 (0.65) ACHECES1CES2HDAC6PARP1
SCHEMBL19321680 0.79 ENPP2 (0.48) CES1MGLLENPP2CES2KDM4E
SCHEMBL1046198 0.76 CES1 (0.56) CES1MGLL
SCHEMBL29380260 0.76 TTR (0.59) MGLLENPP2KDM4EALDH1A1
SCHEMBL6684 0.76 TTR (0.59) MGLLENPP2KDM4EALDH1A1
SCHEMBL5136 0.75 PARP1 (0.59) MGLLENPP2KDM4EALDH1A1PARP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9982087-B2 Method for producing compound SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2018-05-29 US disclosed
EP-1306131-B1 Cross-coupling process using a catalyst comprising a cyclic nitrogen ligand SUMITOMO CHEMICAL CO (JP) 2016-12-07 EP disclosed
US-20160200861-A1 METHOD FOR PRODUCING COMPOUND SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2016-07-14 US disclosed
EP-3037398-A1 METHOD FOR MANUFACTURING CHEMICAL COMPOUND Sumitomo Chemical Company, Limited (JP) 2016-06-29 EP disclosed
EP-2161254-B1 Intermediate for preparing a biaryl compound SUMITOMO CHEMICAL CO (JP) 2014-08-13 EP disclosed
US-8501993-B2 Processes for the preparation of amides SYNGENTA LIMITED (GB) 2013-08-06 US disclosed
US-20120289707-A1 PROCESS FOR THE PREPARATION OF AMIDES SYNGENTA CROP PROTECTION, LLC (US) 2012-11-15 US disclosed
US-8227619-B2 Process for the preparation of amides SYNGENTA LIMITED (GB) 2012-07-24 US disclosed
US-20110263889-A1 PROCESSES FOR THE PREPARATION OF ESTERS SYNGENTA CROP PROTECTION, INC. (US) 2011-10-27 US disclosed
US-20110178310-A1 PROCESS FOR THE PREPARATION OF AMIDES SYNGENTA CROP PROTECTION, INC. (US) 2011-07-21 US disclosed
EP-1481967-A1 PROCESS FOR THE PREPARATION OF BIARYL COMPOUNDS Sumitomo Chemical Company, Limited (JP) 2004-12-01 EP disclosed
US-20040167364-A1 Production method of a coupling compound SUMITOMO CHEMICAL COMPANY, LIMITED 2004-08-26 US disclosed
EP-1449580-A1 Production method of a cross-coupling compound from an alkyl halide and an organoboron compound Sumitomo Chemical Co.,Ltd. (JP) 2004-08-25 EP disclosed
US-20040161404-A1 Method for producing coupling compound SUMITOMO CHEMICAL COMPANY, LIMITED 2004-08-19 US disclosed
US-20040158093-A1 Process for preparing a biaryl compound SUMITOMO CHEMICAL COMPANY, LIMITED 2004-08-12 US disclosed
EP-1439157-A2 Method for producing Suzuki coupling compound catalysed by a nickel compound Sumitomo Chemical Co.,Ltd. (JP) 2004-07-21 EP disclosed
US-20040024229-A1 Production method for biarylalanine SUMITOMO CHEMICAL COMPANY, LIMITED 2004-02-05 US disclosed
EP-1346971-A1 Production method for biarylalanine SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2003-09-24 EP disclosed
US-20030162950-A1 Coupling catalyst and process using the same SUMITOMO CHEMICAL COMPANY, LIMITED 2003-08-28 US disclosed
EP-1306131-A2 Cross-Coupling catalyst comprising a cyclic nitrogen ligand and process using the same SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2003-05-02 EP 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 (9 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-20110263889-A1 PROCESSES FOR THE PREPARATION OF ESTERS ADH5, CYP3A4, CYP4F3 ACHE 198/4885CES1 74/4885MGLL 406/4885
US-20030162950-A1 Coupling catalyst and process using the same NOD1, PYM1, C9 ACHE 4445/4885CES1 2726/4885MGLL 3395/4885
US-20040024229-A1 Production method for biarylalanine BCAT2, BCAT1, PAH ACHE 3484/4885CES1 1051/4885MGLL 3236/4885
US-20040158093-A1 Process for preparing a biaryl compound CYP1B1, REL, CYP2F1 ACHE 3905/4885CES1 1143/4885MGLL 3334/4885
US-20040167364-A1 Production method of a coupling compound PYM1, BRIX1, CXCR1 ACHE 4596/4885CES1 3088/4885MGLL 4154/4885
US-20110178310-A1 PROCESS FOR THE PREPARATION OF AMIDES H1-5, CYP3A5, CYP2B6 ACHE 231/4885CES1 481/4885MGLL 2206/4885
US-20120289707-A1 PROCESS FOR THE PREPARATION OF AMIDES CHRM2, CHRM1, CYP1B1 ACHE 204/4885CES1 537/4885MGLL 2200/4885
US-20040161404-A1 Method for producing coupling compound PYM1, MALT1, BET1 ACHE 4735/4885CES1 2893/4885MGLL 2530/4885
US-20160200861-A1 METHOD FOR PRODUCING COMPOUND NUDT1, OSGEP, CNOT9 ACHE 2463/4885CES1 3673/4885MGLL 3588/4885

“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.