SCHEMBL12731192

SCHEMBL12731192

CC(=O)OC[C@H]1O[C@@H](c2cccc(Cc3ccccc3)c2)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 1/20 0.76
▸ PTPN1 P18031 1/20 0.54
▸ LMNA P02545 2/20 0.52
▸ KMT2A Q03164 1/20 0.50
▸ CA12 O43570 6/20 0.48
▸ CA1 P00915 6/20 0.48
▸ CA2 P00918 5/20 0.48
▸ CA9 Q16790 4/20 0.48
▸ CA4 P22748 4/20 0.48
▸ CA5A P35218 4/20 0.48
▸ CA7 P43166 4/20 0.48
▸ CA5B Q9Y2D0 4/20 0.48
▸ CA6 P23280 2/20 0.48
▸ CA13 Q8N1Q1 2/20 0.48
▸ CA14 Q9ULX7 2/20 0.48
▸ CYP2D6 P10635 3/20 0.46
▸ ALDH1A1 P00352 3/20 0.46
▸ MAPK1 P28482 1/20 0.46
▸ POLB P06746 1/20 0.46
▸ SLC5A2 P31639 1/20 0.46

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
SCHEMBL5271015 0.94 TSHR (0.70) TSHRPTPN1LMNAKMT2ACA12
SCHEMBL18427873 0.93 TSHR (0.65) TSHRPTPN1LMNAKMT2ACA12
SCHEMBL12725076 0.93 TSHR (0.65) TSHRPTPN1LMNAKMT2ACA12
SCHEMBL5523365 0.90 TSHR (0.73) TSHRPTPN1LMNAKMT2ACA12
SCHEMBL12509908 0.90 TSHR (0.73) TSHRPTPN1LMNAKMT2ACA12
SCHEMBL15269927 0.88 TSHR (0.61) TSHRPTPN1LMNAKMT2ACA12
SCHEMBL15269929 0.88 TSHR (0.61) TSHRPTPN1LMNAKMT2ACA12
SCHEMBL12425655 0.88 TSHR (0.70) TSHRPTPN1LMNAKMT2ACA12
SCHEMBL12510088 0.88 TSHR (0.70) TSHRPTPN1LMNAKMT2ACA12
SCHEMBL2962132 0.88 TSHR (0.70) TSHRPTPN1LMNAKMT2ACA12

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-7919598-B2 Crystal structures of SGLT2 inhibitors and processes for preparing same BRISTOL-MYERS SQUIBB COMPANY (US) 2011-04-05 — — US disclosed
US-20080004336-A1 CRYSTAL STRUCTURES OF SGLT2 INHIBITORS AND PROCESSES FOR PREPARING SAME BRISTOL-MYERS SQUIBB COMPANY 2008-01-03 — — US 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-20080004336-A1 CRYSTAL STRUCTURES OF SGLT2 INHIBITORS AND PROCESSES FOR PREPARING SAME SLC5A2, SLC5A1, GLP1R TSHR 1697/4885PTPN1 576/4885LMNA 2915/4885

“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.

Send feedback