SCHEMBL6799548

SCHEMBL6799548

COC(=O)c1ccc(CBr)cc1-c1ccc(C(F)(F)F)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CFTR P13569 1/20 0.50
PSEN1 P49768 1/20 0.48
PSEN2 P49810 1/20 0.48
APH1B Q8WW43 1/20 0.48
NCSTN Q92542 1/20 0.48
APH1A Q96BI3 1/20 0.48
PSENEN Q9NZ42 1/20 0.48
KDM4E B2RXH2 1/20 0.46
SLC6A3 Q01959 3/20 0.42
SLC6A4 P31645 2/20 0.42
PTPN1 P18031 2/20 0.41
BDKRB1 P46663 1/20 0.41
BACE1 P56817 1/20 0.40
MAPK8 P45983 1/20 0.40
MAPK10 P53779 1/20 0.40
CASR P41180 2/20 0.40
AKR1C3 P42330 1/20 0.39
AKR1C2 P52895 1/20 0.39
CYP2C8 P10632 1/20 0.39
CETP P11597 1/20 0.39

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
SCHEMBL6804200 0.88 LSS (0.49) CFTRPSEN1PSEN2APH1BNCSTN
SCHEMBL7240643 0.85 SLC6A3 (0.58) KDM4ESLC6A3SLC6A4CYP4F2CYP4A11
SCHEMBL23354519 0.85 CFTR (0.63) CFTRKDM4ESLC6A3SLC6A4PTPN1
SCHEMBL6808895 0.84 CFTR (0.47) CFTRPSEN1PSEN2APH1BNCSTN
SCHEMBL6629659 0.82 CYP4F2 (0.49) KDM4ESLC6A3SLC6A4CYP4F2CYP4A11
SCHEMBL2138612 0.81 CFTR (0.55) CFTRKDM4ESLC6A3SLC6A4PTPN1
SCHEMBL23354287 0.81 SLC6A3 (0.56) CFTRKDM4ESLC6A3SLC6A4PTPN1
SCHEMBL6698582 0.81 CFTR (0.55) CFTRKDM4ESLC6A3SLC6A4PTPN1
SCHEMBL6701426 0.80 KDM4E (0.58) CFTRKDM4ESLC6A3SLC6A4PTPN1
SCHEMBL23226472 0.79 CFTR (0.52) CFTRPSEN1PSEN2APH1BNCSTN

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040157866-A1 Amide compounds FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2004-08-12 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 (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-20040157866-A1 Amide compounds APOB, NR1H2, NR1H3 CFTR 1213/4885PSEN1 1263/4885PSEN2 1521/4885

“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.