SCHEMBL20872300

SCHEMBL20872300

CN1C(=O)C=C(CSN)C1=O

nearest known ligand 0.31

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ GSK3A P49840 1/20 0.31
▸ GSK3B P49841 1/20 0.31
▸ MGLL Q99685 1/20 0.31
▸ KDM4E B2RXH2 1/20 0.30
▸ NPC1 O15118 1/20 0.30
▸ ALDH1A1 P00352 1/20 0.30
▸ MAPT P10636 1/20 0.30
▸ RAB9A P51151 1/20 0.30
▸ SMN1; SMN2 Q16637 1/20 0.30

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
SCHEMBL23519914 0.71 MGLL (0.33) GSK3AGSK3BMGLLKDM4ENPC1
SCHEMBL23052619 0.68 GSK3A (0.35) GSK3AGSK3BMGLLKDM4ENPC1
SCHEMBL24285588 0.67 GSK3A (0.30) GSK3AGSK3BMGLL
SCHEMBL4016737 0.67 ALDH1A1 (0.33) GSK3AGSK3BMGLLALDH1A1
SCHEMBL14608278 0.67 ALDH1A1 (0.38) GSK3AGSK3BMGLLKDM4ENPC1
SCHEMBL4005408 0.65 ACHE (0.49) MGLLALDH1A1
SCHEMBL19120576 0.65 — —
SCHEMBL720415 0.65 MAOA (0.46) GSK3AGSK3BMGLL
SCHEMBL181251 0.61 — —
SCHEMBL23482669 0.61 GSK3A (0.32) GSK3AGSK3BMGLLKDM4ENPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190099506-A1 METHODS AND COMPOSITIONS FOR DEUTERATED BIOLOGICS BRISTOL-MYERS SQUIBB COMPANY 2019-04-04 — — 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-20190099506-A1 METHODS AND COMPOSITIONS FOR DEUTERATED BIOLOGICS CD22, DSP, CD44 GSK3A 1791/4885GSK3B 1393/4885MGLL 2637/4885

“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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