SCHEMBL4371658

SCHEMBL4371658

CC(=O)OC[C@H]1OC(c2c(O)ccc(O)c2C2O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]2OC(C)=O)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 1/20 0.70
▸ PTPN1 P18031 1/20 0.59
▸ CA12 O43570 13/20 0.54
▸ CA1 P00915 13/20 0.54
▸ CA2 P00918 13/20 0.54
▸ CA4 P22748 10/20 0.54
▸ CA5A P35218 10/20 0.54
▸ CA7 P43166 10/20 0.54
▸ CA5B Q9Y2D0 10/20 0.54
▸ CA9 Q16790 7/20 0.52
▸ CA6 P23280 4/20 0.52
▸ CA13 Q8N1Q1 4/20 0.52
▸ CA14 Q9ULX7 4/20 0.52
▸ CYP2D6 P10635 1/20 0.50
▸ THRB P10828 1/20 0.50
▸ HSD17B10 Q99714 1/20 0.50
▸ P4HB P07237 1/20 0.50
▸ PDIA4 P13667 1/20 0.50
▸ PDIA3 P30101 1/20 0.50
▸ NR3C1 P04150 1/20 0.49

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
SCHEMBL12762931 0.82 TSHR (1.00) TSHRPTPN1CA12CA1CA2
SCHEMBL4368202 0.82 TSHR (0.64) TSHRPTPN1CA12CA1CA2
SCHEMBL8101493 0.80 TSHR (0.61) TSHRPTPN1CA12CA1CA2
SCHEMBL14009724 0.80 TSHR (0.81) TSHRPTPN1CA12CA1CA2
SCHEMBL14036045 0.80 TSHR (0.81) TSHRPTPN1CA12CA1CA2
SCHEMBL25088449 0.80 TSHR (0.75) TSHRPTPN1CA12CA1CA2
SCHEMBL15284474 0.80 TSHR (0.75) TSHRPTPN1CA12CA1CA2
SCHEMBL15269669 0.80 TSHR (0.75) TSHRPTPN1CA12CA1CA2
SCHEMBL15284473 0.80 TSHR (0.75) TSHRPTPN1CA12CA1CA2
SCHEMBL4810892 0.79 TSHR (0.67) TSHRPTPN1CA12CA1CA2

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7622563-B2 Process for producing glycoside MITSUI CHEMICALS, INC. (JP) 2009-11-24 — — US disclosed
US-20050272921-A1 Process for producing glycoside MITSUI CHEMICALS, INC. (JP) 2005-12-08 — — US disclosed
EP-1544207-A1 PROCESS FOR PRODUCING GLYCOSIDE Mitsui Chemicals, Inc. (JP) 2005-06-22 — — EP 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-20050272921-A1 Process for producing glycoside HAAO, OGA, MGAM TSHR 3613/4885PTPN1 3456/4885CA12 31/4885

“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.

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