SCHEMBL20140101

SCHEMBL20140101

Cc1c(Br)ccc(OCc2ccccc2)c1C1(O)O[C@H](COCc2ccccc2)[C@@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@H]1OCc1ccccc1

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TACR2 P21452 3/20 0.36
PTPN1 P18031 8/20 0.36
CDC25B P30305 6/20 0.36
MAPT P10636 2/20 0.36
TDP1 Q9NUW8 2/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
MAPK1 P28482 1/20 0.36
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
HTR1A P08908 1/20 0.34
NT5E P21589 1/20 0.34
PTPN2 P17706 3/20 0.34
PTPN11 Q06124 3/20 0.34
PTPN6 P29350 2/20 0.33

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
SCHEMBL2960359 0.83 TACR2 (0.37) TACR2PTPN1CDC25BHTR1ANT5E
SCHEMBL2960356 0.83 TACR2 (0.37) TACR2PTPN1CDC25BHTR1ANT5E
SCHEMBL5278664 0.77 TACR2 (0.40) TACR2PTPN1CDC25BMAPTMAPK1
SCHEMBL5278666 0.77 TACR2 (0.40) TACR2PTPN1CDC25BMAPTMAPK1
SCHEMBL22134645 0.77 HTR1A (0.42) TACR2PTPN1CDC25BHTR1ANT5E
SCHEMBL20140067 0.76 SSTR1 (0.41) TACR2PTPN1CDC25BHTR1ANT5E
SCHEMBL14590073 0.76 HTR1A (0.37) TACR2PTPN1CDC25BHTR1ANT5E
SCHEMBL2174063 0.75 TACR2 (0.36) TACR2PTPN1CDC25BMAPTHTR1A
SCHEMBL2174055 0.75 TACR2 (0.36) TACR2PTPN1CDC25BMAPTHTR1A
SCHEMBL19019422 0.75 TACR2 (0.38) TACR2PTPN1CDC25BHTR1ANT5E

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 TACR2 967/4885PTPN1 1940/4885CDC25B 1755/4885

“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.