SCHEMBL7786308

SCHEMBL7786308

O=C(CBr)c1ccc(F)cc1C(F)(F)F

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 2/20 0.47
CES2 O00748 4/20 0.43
GSK3B P49841 1/20 0.43
KMT2A Q03164 1/20 0.43
ATM Q13315 1/20 0.43
IDO1 P14902 2/20 0.40
CES1 P23141 2/20 0.40
HCRTR1 O43613 1/20 0.39
HCRTR2 O43614 1/20 0.39
MRGPRX4 Q96LA9 1/20 0.38
HDAC3 O15379 1/20 0.37
HDAC1 Q13547 1/20 0.37
HDAC2 Q92769 1/20 0.37
HDAC6 Q9UBN7 1/20 0.37
P2RX7 Q99572 1/20 0.37
CYP3A4 P08684 1/20 0.37
ESR1 P03372 1/20 0.36
ESR2 Q92731 1/20 0.36
CTNNB1 P35222 1/20 0.36
WNT3A P56704 1/20 0.36

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
SCHEMBL16914396 0.86 PTPN1 (0.47) PTPN1CES2GSK3BKMT2AATM
SCHEMBL2028898 0.83 KMT2A (0.46) CES2KMT2AATMIDO1CES1
SCHEMBL7787360 0.83 GSK3B (0.44) PTPN1CES2GSK3BCTNNB1WNT3A
SCHEMBL2097720 0.83 CES2 (0.66) PTPN1CES2GSK3BCES1
SCHEMBL1350488 0.81 GSK3B (0.46) PTPN1CES2GSK3BMRGPRX4P2RX7
SCHEMBL7779240 0.81 GSK3B (0.46) PTPN1CES2GSK3BKMT2ACTNNB1
SCHEMBL25902683 0.80 THRA (0.47) CES2KMT2AATMIDO1CES1
SCHEMBL25902695 0.80 CTNNB1 (0.43) CES2KMT2AATMHCRTR1HCRTR2
SCHEMBL334641 0.80 KEAP1 (0.52) CES2KMT2AATMIDO1CES1
SCHEMBL28462767 0.80 KMT2A (0.55) CES2KMT2AATMIDO1CES1

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 17 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9771378-B2 Fused morpholinopyrimidines and methods of use thereof DENALI THERAPEUTICS, INC. (US) 2017-09-26 US disclosed
US-9771378-B2 Fused morpholinopyrimidines and methods of use thereof DENALI THERAPEUTICS, INC. (US) 2017-09-26 US disclosed
US-9771378-B2 Fused morpholinopyrimidines and methods of use thereof DENALI THERAPEUTICS, INC. (US) 2017-09-26 US disclosed
US-20170044182-A1 FUSED MORPHOLINOPYRIMIDINES AND METHODS OF USE THEREOF FORUM PHARMACEUTICALS INC. 2017-02-16 US disclosed
US-20170044182-A1 FUSED MORPHOLINOPYRIMIDINES AND METHODS OF USE THEREOF FORUM PHARMACEUTICALS INC. 2017-02-16 US disclosed
US-20170044182-A1 FUSED MORPHOLINOPYRIMIDINES AND METHODS OF USE THEREOF FORUM PHARMACEUTICALS INC. 2017-02-16 US disclosed
WO-2016132134-A1 THIAZOLE DERIVATIVES FOR THE TREATMENT OF ANIMAL TRYPANOSOMIASIS UNIVERSITY OF DUNDEE (GB) 2016-08-25 WO disclosed
EP-2758380-B1 BENZOIC ACID DERIVATIVES AS EIF4E INHIBITORS HOFFMANN LA ROCHE (CH) 2015-10-21 EP disclosed
WO-2015109109-A1 FUSED MORPHOLINOPYRIMIDINES AND METHODS OF USE THEREOF FORUM PHARMACEUTICALS INC. (US) 2015-07-23 WO disclosed
WO-2015109109-A1 FUSED MORPHOLINOPYRIMIDINES AND METHODS OF USE THEREOF FORUM PHARMACEUTICALS INC. (US) 2015-07-23 WO disclosed
US-9073881-B2 Benzoic acid derivatives HOFFMANN-LA ROCHE INC. (US) 2015-07-07 US disclosed
EP-2758380-A1 BENZOIC ACID DERIVATIVES AS EIF4E INHIBITORS F.HOFFMANN-LA ROCHE AG (CH) 2014-07-30 EP disclosed
WO-2013041468-A1 BENZOIC ACID DERIVATIVES AS EIF4E INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2013-03-28 WO disclosed
US-20130079346-A1 BENZOIC ACID DERIVATIVES HOFFMANN-LA ROCHE INC. 2013-03-28 US disclosed
EP-0735142-B1 Process for producing (R)-styrene oxides SUMIKA FINE CHEMICALS CO LTD (JP) 2001-10-24 EP disclosed
US-5717116-A TREATING A MIXTURE OF PHENYLHALOGENOMETHYLCARBINOLS WITH A LIPASE IN THE PRESENCE OF A CARBOXYLATE FOLLOWED BY CYCLIZATION WITH A BASE SUMIKA FINE CHEMICALS COMPANY, LIMITED (JP) 1998-02-10 US disclosed
EP-0735142-A2 Process for producing (R)-styrene oxides SUMIKA FINE CHEMICAL COMPANY, LTD. (JP) 1996-10-02 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 (2 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-20170044182-A1 FUSED MORPHOLINOPYRIMIDINES AND METHODS OF USE THEREOF SMN1; SMN2, FUS, SYNCRIP PTPN1 2862/4885CES2 2643/4885GSK3B 3967/4885
US-20130079346-A1 BENZOIC ACID DERIVATIVES EIF4EBP1, EIF4E, EIF4A2 PTPN1 3778/4885CES2 2808/4885GSK3B 2874/4885

“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.