SCHEMBL16905401

SCHEMBL16905401

CC(=O)N1C(C)COC[C@@H]1C

nearest known ligand 0.43

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 2/20 0.43
▸ CA12 O43570 1/20 0.31
▸ CA1 P00915 1/20 0.31
▸ CA2 P00918 1/20 0.31
▸ CA9 Q16790 1/20 0.31
▸ RECQL P46063 1/20 0.30
▸ PIK3C3 Q8NEB9 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
SCHEMBL16905404 1.00 SMN1; SMN2 (0.43) SMN1; SMN2CA12CA1CA2CA9
SCHEMBL16905405 1.00 SMN1; SMN2 (0.43) SMN1; SMN2CA12CA1CA2CA9
SCHEMBL16905403 1.00 SMN1; SMN2 (0.43) SMN1; SMN2CA12CA1CA2CA9
SCHEMBL16964987 1.00 SMN1; SMN2 (0.43) SMN1; SMN2CA12CA1CA2CA9
SCHEMBL16905402 1.00 SMN1; SMN2 (0.43) SMN1; SMN2CA12CA1CA2CA9
SCHEMBL22766836 0.82 SMN1; SMN2 (0.33) SMN1; SMN2
SCHEMBL4197547 0.80 CA12 (0.31) CA12CA1CA2CA9RECQL
SCHEMBL3936173 0.80 CA12 (0.31) CA12CA1CA2CA9RECQL
SCHEMBL5781735 0.80 CA12 (0.31) CA12CA1CA2CA9RECQL
SCHEMBL3943817 0.78 CA12 (0.31) CA12CA1CA2CA9

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-9630958-B2 Triazine compounds SPHAERA PHARMA PTE. LTD. (SG) 2017-04-25 — — US disclosed
US-20150197515-A1 NOVEL TRIAZINE COMPOUNDS SPHAERA PHARMA PTE. LTD. (SG) 2015-07-16 — — 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-20150197515-A1 NOVEL TRIAZINE COMPOUNDS MTOR, PIK3R5, PIK3R2 SMN1; SMN2 4496/4885CA12 4244/4885CA1 4802/4885

“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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