SCHEMBL20140011

SCHEMBL20140011

O=Cc1cc(C2(O)O[C@H](COCc3ccccc3)[C@@H](OCc3ccccc3)[C@H](OCc3ccccc3)[C@H]2OCc2ccccc2)c(F)cc1Cl

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NT5E P21589 1/20 0.35
TP53 P04637 1/20 0.34
MDM2 Q00987 1/20 0.34
PTPN1 P18031 8/20 0.34
CDC25B P30305 7/20 0.34
PTPN2 P17706 5/20 0.34
PTPN11 Q06124 5/20 0.34
PTPN6 P29350 4/20 0.34
TACR2 P21452 2/20 0.33
HTR1A P08908 1/20 0.33
BCHE P06276 2/20 0.33
ACHE P22303 1/20 0.32
SSTR1 P30872 1/20 0.32
SSTR2 P30874 1/20 0.32
SSTR4 P31391 1/20 0.32
SSTR3 P32745 1/20 0.32
SSTR5 P35346 1/20 0.32

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
SCHEMBL20139433 0.89 TACR2 (0.37) NT5ETP53MDM2PTPN1CDC25B
SCHEMBL20139455 0.88 TACR2 (0.36) NT5ETP53MDM2PTPN1CDC25B
SCHEMBL20140176 0.87 PTPN1 (0.33) NT5ETP53MDM2PTPN1CDC25B
SCHEMBL2174055 0.81 TACR2 (0.36) NT5EPTPN1CDC25BPTPN2PTPN11
SCHEMBL2174063 0.81 TACR2 (0.36) NT5EPTPN1CDC25BPTPN2PTPN11
SCHEMBL20139450 0.81 SLC5A2 (0.42) TP53MDM2PTPN1PTPN2PTPN11
SCHEMBL2087673 0.77 ERN1 (0.39) NT5EPTPN1CDC25BPTPN2PTPN11
SCHEMBL20140033 0.77 TACR2 (0.34) NT5ETP53MDM2PTPN1CDC25B
SCHEMBL12407931 0.76 MAOA (0.39) NT5EPTPN1CDC25BPTPN2PTPN11
SCHEMBL10193896 0.76 HTR1A (0.36) NT5ETP53MDM2PTPN1CDC25B

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 NT5E 3828/4885TP53 4880/4885MDM2 4748/4885

“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.