SCHEMBL3485837

SCHEMBL3485837

COC(=O)C(N[C]=O)C(C)O

nearest known ligand 0.41

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CA14 Q9ULX7 3/20 0.41
CA12 O43570 2/20 0.41
SMN1; SMN2 Q16637 3/20 0.37
CA7 P43166 1/20 0.33
CA9 Q16790 1/20 0.33
TSHR P16473 1/20 0.31
TAS1R3 Q7RTX0 1/20 0.30
TAS1R1 Q7RTX1 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
SCHEMBL8610882 0.84 CA14 (0.52) CA14CA12SMN1; SMN2CA7CA9
SCHEMBL3201070 0.84 CA14 (0.52) CA14CA12SMN1; SMN2CA7CA9
SCHEMBL8017536 0.78 POLB (0.41) TAS1R3TAS1R1
SCHEMBL15904132 0.77 TP53 (0.39)
SCHEMBL23573085 0.76
SCHEMBL26360906 0.76 CA14 (0.42) CA14CA12SMN1; SMN2CA7CA9
SCHEMBL23758442 0.76 CA14 (0.42) CA14CA12SMN1; SMN2CA7CA9
SCHEMBL28868142 0.76 CA14 (0.42) CA14CA12SMN1; SMN2CA7CA9
SCHEMBL24556376 0.75 CA14 (0.45) CA14CA12SMN1; SMN2CA7CA9
SCHEMBL24445693 0.75 CA14 (0.45) CA14CA12SMN1; SMN2CA7CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100029724-A1 SCREENING METHOD TAKEDA PHARMACEUTICAL COMPANY LIMITED 2010-02-04 US disclosed
EP-2039779-A1 SCREENING METHOD Takeda Pharmaceutical Company Limited (JP) 2009-03-25 EP disclosed
US-20080287438-A1 Agent for preventing or treating neuropathy MOMOSE YU 2008-11-20 US disclosed
US-7423159-B2 Agent for preventing or treating neuropathy TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-09-09 US disclosed
US-7183276-B2 Azole compounds TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-02-27 US disclosed
US-20060004069-A1 Agent for preventing or treating neuropathy TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2006-01-05 US disclosed
US-20050090534-A1 Azole compounds TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2005-04-28 US disclosed
EP-1486490-A1 AZOLE COMPOUNDS Takeda Chemical Industries, Ltd. (JP) 2004-12-15 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 (4 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-20050090534-A1 Azole compounds AHR, NR0B2, NR2C2 CA14 2335/4885CA12 2146/4885SMN1; SMN2 584/4885
US-20100029724-A1 SCREENING METHOD NR2C2, NCOR2, NCOA2 CA14 1529/4885CA12 723/4885SMN1; SMN2 620/4885
US-20060004069-A1 Agent for preventing or treating neuropathy NR2C2, NR0B2, NR2E1 CA14 4354/4885CA12 3141/4885SMN1; SMN2 75/4885
US-20080287438-A1 Agent for preventing or treating neuropathy NR2C2, NR0B2, NR2E1 CA14 4354/4885CA12 3141/4885SMN1; SMN2 75/4885

“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.