SCHEMBL18722237

SCHEMBL18722237

CNC1OC(CO)[C@@H](O)C(O)[C@H]1O

nearest known ligand 0.58

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ PYGB P11216 7/20 0.58
▸ GAA P10253 1/20 0.58
▸ CA12 O43570 3/20 0.55
▸ CA1 P00915 3/20 0.55
▸ CA2 P00918 3/20 0.55
▸ CA9 Q16790 3/20 0.55
▸ TSHR P16473 1/20 0.47
▸ LGALS1 P09382 2/20 0.47
▸ LGALS3 P17931 2/20 0.47
▸ LGALS9 O00182 1/20 0.47
▸ LGALS8 O00214 1/20 0.47
▸ SLC5A2 P31639 1/20 0.44

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
SCHEMBL1647661 1.00 PYGB (0.58) PYGBGAACA12CA1CA2
SCHEMBL1647658 1.00 PYGB (0.58) PYGBGAACA12CA1CA2
SCHEMBL19538490 1.00 PYGB (0.58) PYGBGAACA12CA1CA2
SCHEMBL14707760 1.00 PYGB (0.58) PYGBGAACA12CA1CA2
SCHEMBL3228008 1.00 PYGB (0.58) PYGBGAACA12CA1CA2
SCHEMBL12038703 1.00 PYGB (0.58) PYGBGAACA12CA1CA2
SCHEMBL9650344 0.98 PYGB (0.55) PYGBGAACA12CA1CA2
SCHEMBL8059606 0.98 PYGB (0.55) PYGBGAACA12CA1CA2
SCHEMBL23430833 0.82 LGALS8 (0.53) PYGBCA12CA1CA2CA9
SCHEMBL21894588 0.82 LGALS8 (0.53) PYGBCA12CA1CA2CA9

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-20170313661-A1 KINASE MODULATORS FOR THE TREATMENT OF CANCER SYNOVO GMBH (DE) 2017-11-02 — — US disclosed
US-9617221-B2 Kinase modulators for the treatment of cancer SYNOVO GMBH (DE) 2017-04-11 — — 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-20170313661-A1 KINASE MODULATORS FOR THE TREATMENT OF CANCER MAP3K10, MAP3K12, MAP3K20 PYGB 3168/4885GAA 2734/4885CA12 2135/4885

“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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