SCHEMBL20140033

SCHEMBL20140033

CCc1cc(F)c(C2(O)O[C@H](COCc3ccccc3)[C@@H](OCc3ccccc3)[C@H](OCc3ccccc3)[C@H]2OCc2ccccc2)cc1C1OCCO1

nearest known ligand 0.34

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TACR2 P21452 3/20 0.34
TP53 P04637 2/20 0.34
MDM2 Q00987 2/20 0.34
PTPN1 P18031 8/20 0.33
CDC25B P30305 6/20 0.33
PTPN2 P17706 3/20 0.33
PTPN11 Q06124 3/20 0.33
BACE1 P56817 1/20 0.33
NT5E P21589 1/20 0.33
PTPN6 P29350 2/20 0.32
GJB2 P29033 1/20 0.31
MDM4 O15151 1/20 0.31
HSP90AA1 P07900 1/20 0.31
HSP90AB1 P08238 1/20 0.31
SSTR4 P31391 2/20 0.31
SSTR1 P30872 1/20 0.31
SSTR2 P30874 1/20 0.31
SSTR3 P32745 1/20 0.31
SSTR5 P35346 1/20 0.31

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
SCHEMBL20139455 0.84 TACR2 (0.36) TACR2TP53MDM2PTPN1CDC25B
SCHEMBL2172332 0.81 TACR2 (0.33) TACR2PTPN1CDC25BPTPN2PTPN11
SCHEMBL2172327 0.81 TACR2 (0.33) TACR2PTPN1CDC25BPTPN2PTPN11
SCHEMBL20139392 0.79 PTPN1 (0.33) TACR2TP53MDM2PTPN1CDC25B
SCHEMBL20139433 0.78 TACR2 (0.37) TACR2TP53MDM2PTPN1CDC25B
SCHEMBL20140176 0.78 PTPN1 (0.33) TACR2TP53MDM2PTPN1CDC25B
SCHEMBL18511211 0.77 PTPN1 (0.35) TACR2PTPN1CDC25BPTPN2PTPN11
SCHEMBL2089094 0.77 PTPN1 (0.35) TACR2PTPN1CDC25BPTPN2PTPN11
SCHEMBL20140011 0.77 NT5E (0.35) TACR2TP53MDM2PTPN1CDC25B
SCHEMBL10193896 0.76 HTR1A (0.36) TACR2TP53MDM2PTPN1CDC25B

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 967/4885TP53 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.