SCHEMBL20140209

SCHEMBL20140209

COc1cc(OC(F)(F)F)c(Br)cc1Cc1ccc2c(c1)CC2

nearest known ligand 0.45

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SLC5A1 P13866 7/20 0.45
SLC5A2 P31639 7/20 0.45
CETP P11597 1/20 0.40
MAPK1 P28482 1/20 0.37
HTR2A P28223 2/20 0.34
HTR2C P28335 1/20 0.34
HTR2B P41595 1/20 0.34
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34

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
SCHEMBL20140138 0.86 SLC5A1 (0.42) SLC5A1SLC5A2CETP
SCHEMBL20139476 0.85 SLC5A1 (0.43) SLC5A1SLC5A2CETP
SCHEMBL20140227 0.82 SLC5A1 (0.53) SLC5A1SLC5A2CETPMAPK1HTR2A
SCHEMBL20139411 0.79 CHRNA7 (0.47) SLC5A1SLC5A2HTR2AHTR2C
SCHEMBL20139469 0.75 SLC5A1 (0.51) SLC5A1SLC5A2CETPKDM4EALDH1A1
SCHEMBL20140145 0.73 PDE10A (0.41) SLC5A1SLC5A2MAPK1HTR2AHTR2C
SCHEMBL20139929 0.73 SLC5A2 (0.84) SLC5A1SLC5A2
SCHEMBL16682942 0.72 SNCA (0.47) SLC5A1SLC5A2CETP
SCHEMBL20139974 0.71 TOP2A (0.36) HTR2AHTR2CHTR2BALDH1A1
SCHEMBL20140087 0.71 MAPK1 (0.39) SLC5A1SLC5A2MAPK1HTR2AHTR2C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10815210-B2 Benzocyclobutane derivatives useful as dual SGLT1 / SGLT2 modulators JANSSEN PHARMACEUTICA NV (BE) 2020-10-27 US disclosed
WO-2018089449-A1 BENZOCYCLOBUTANE DERIVATIVES USEFUL AS DUAL SGLT1/SGLT2 MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2018-05-17 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 (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-10815210-B2 Benzocyclobutane derivatives useful as dual SGLT1 / SGLT2 modulators SLC5A2, SLC5A1, SLC2A2 SLC5A1 2/4885SLC5A2 1/4885CETP 2101/4885

“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.