SCHEMBL17249591

SCHEMBL17249591

CC(C)(C)OC(=O)NN1C(=O)[C@@H]2C3C=CC([C@@H]4C[C@@H]34)[C@@H]2C1=O

nearest known ligand 0.53

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
GAA P10253 2/20 0.49
KMT2A Q03164 7/20 0.48
MEN1 O00255 4/20 0.48
NFKB1 P19838 1/20 0.40
NFKB2 Q00653 1/20 0.40
RELA Q04206 1/20 0.40
LMNA P02545 1/20 0.38

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
SCHEMBL17249586 1.00 ALDH1A1 (0.52) ALDH1A1SMN1; SMN2GAAKMT2AMEN1
SCHEMBL20808829 0.89 ALDH1A1 (0.42) ALDH1A1SMN1; SMN2GAAKMT2AMEN1
SCHEMBL20005894 0.78 SMN1; SMN2 (0.35) ALDH1A1SMN1; SMN2GAAKMT2AMEN1
SCHEMBL20808598 0.76 SMN1; SMN2 (0.33) ALDH1A1SMN1; SMN2GAAKMT2AMEN1
SCHEMBL18677751 0.76 SMN1; SMN2 (0.34) ALDH1A1SMN1; SMN2GAANFKB1NFKB2
SCHEMBL20005893 0.74 NFKB1 (0.34) ALDH1A1SMN1; SMN2NFKB1NFKB2RELA
SCHEMBL10029239 0.74 ALDH1A1 (0.71) ALDH1A1SMN1; SMN2GAAKMT2AMEN1
SCHEMBL405246 0.74 ALDH1A1 (0.71) ALDH1A1SMN1; SMN2GAAKMT2AMEN1
SCHEMBL20145995 0.71 NFKB1 (0.32) NFKB1NFKB2RELA
SCHEMBL10029261 0.71 ALDH1A1 (0.76) ALDH1A1SMN1; SMN2GAAKMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9862683-B2 Methods of preparing Tecovirimat SIGA TECHNOLOGIES, INC. (US) 2018-01-09 US disclosed
US-20170088517-A1 METHODS OF PREPARING TECOVIRIMAT SIGA TECHNOLOGIES, INC. (US) 2017-03-30 US disclosed
US-9546137-B2 Methods of preparing Tecovirimat SIGA TECHNOLOGIES INC. (US) 2017-01-17 US disclosed
US-20150322010-A1 METHODS OF PREPARING TECOVIRIMAT SIGA TECHNOLOGIES INC. (US) 2015-11-12 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 (2 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-20150322010-A1 METHODS OF PREPARING TECOVIRIMAT TYMP, NUDT1, HPRT1 ALDH1A1 2593/4885SMN1; SMN2 672/4885GAA 129/4885
US-20170088517-A1 METHODS OF PREPARING TECOVIRIMAT TYMP, NUDT1, HPRT1 ALDH1A1 2593/4885SMN1; SMN2 672/4885GAA 129/4885

“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.