SCHEMBL7779240

SCHEMBL7779240

Cc1ccc(C(=O)CBr)c(C(F)(F)F)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 2/20 0.46
CES2 O00748 2/20 0.42
PTPN1 P18031 1/20 0.42
SMN1; SMN2 Q16637 4/20 0.41
RAB9A P51151 3/20 0.41
MAPT P10636 3/20 0.41
TP53 P04637 2/20 0.41
ALDH1A1 P00352 1/20 0.39
ALOX12 P18054 1/20 0.39
PTGDR2 Q9Y5Y4 1/20 0.38
NPC1 O15118 2/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
HTT P42858 2/20 0.38
NPSR1 Q6W5P4 2/20 0.38
THRA P10827 1/20 0.37
THRB P10828 1/20 0.37
HPGDS O60760 1/20 0.36
P2RX1 P51575 1/20 0.35
TMPRSS4 Q9NRS4 1/20 0.35

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
SCHEMBL2097720 0.81 CES2 (0.66) GSK3BCES2PTPN1MAPTALDH1A1
SCHEMBL7786308 0.81 PTPN1 (0.47) GSK3BCES2PTPN1KMT2ACTNNB1
SCHEMBL7787360 0.81 GSK3B (0.44) GSK3BCES2PTPN1PTGDR2THRA
SCHEMBL107636 0.80 CSNK2A1 (0.52) CES2SMN1; SMN2RAB9AMAPTTP53
SCHEMBL28471721 0.80 CES2 (0.48) CES2SMN1; SMN2RAB9AMAPTTP53
SCHEMBL1350488 0.80 GSK3B (0.46) GSK3BCES2PTPN1SMN1; SMN2RAB9A
SCHEMBL7786256 0.80 GSK3B (0.50) GSK3BSMN1; SMN2RAB9AMAPTNPC1
SCHEMBL19434273 0.80 PTPN1 (0.39) GSK3BCES2PTPN1SMN1; SMN2RAB9A
SCHEMBL7787350 0.79 CES2 (0.47) CES2SMN1; SMN2RAB9AMAPTTP53
SCHEMBL22217127 0.78 MAPT (0.45) SMN1; SMN2RAB9AMAPTNPC1MEN1

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 5 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-20170044182-A1 FUSED MORPHOLINOPYRIMIDINES AND METHODS OF USE THEREOF FORUM PHARMACEUTICALS INC. 2017-02-16 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 (1 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 GSK3B 3967/4885CES2 2643/4885PTPN1 2862/4885

“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.