SCHEMBL20139974

SCHEMBL20139974

COc1cc(OC(F)(F)F)c(Br)cc1C(O)c1ccc2c(c1)CC2

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TOP2A P11388 1/20 0.36
TOP2B Q02880 1/20 0.36
HTR2C P28335 2/20 0.33
HTR2A P28223 1/20 0.33
HTR2B P41595 1/20 0.33
CYP1A1 P04798 1/20 0.31
CYP1B1 Q16678 1/20 0.31
PDE2A O00408 1/20 0.31
ALDH1A1 P00352 1/20 0.31
HSP90AA1 P07900 1/20 0.31
GAA P10253 1/20 0.31
KMT2A Q03164 1/20 0.31
TRPV1 Q8NER1 1/20 0.30

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
SCHEMBL20140153 0.87 PDE2A (0.32) TOP2ATOP2BPDE2AALDH1A1HSP90AA1
SCHEMBL20139430 0.84 EPHX2 (0.33) TOP2ATOP2BPDE2AALDH1A1HSP90AA1
SCHEMBL20140293 0.83 TOP2A (0.36) TOP2ATOP2BHTR2CHTR2AHTR2B
SCHEMBL20139978 0.79 TOP2A (0.41) TOP2ATOP2BHTR2CHTR2AHTR2B
SCHEMBL20139480 0.78 CHRNA7 (0.44) TOP2ATOP2BHTR2CHTR2AKMT2A
SCHEMBL20140072 0.76 KMT2A (0.40) TOP2ATOP2BALDH1A1HSP90AA1GAA
SCHEMBL20140209 0.71 SLC5A1 (0.45) HTR2CHTR2AHTR2BALDH1A1
SCHEMBL20140114 0.70 TOP2A (0.37) TOP2ATOP2BALDH1A1
SCHEMBL20140089 0.69 TOP2A (0.38) TOP2ATOP2BALDH1A1
SCHEMBL12782153 0.67 LMNA (0.46) TOP2ATOP2BPDE2AALDH1A1KMT2A

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 TOP2A 2707/4885TOP2B 2772/4885HTR2C 879/4885

“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.