SCHEMBL17249593

SCHEMBL17249593

Cc1ccc(C(=O)NN2C(=O)[C@@H]3C4C=CC([C@@H]5C[C@@H]45)[C@@H]3C2=O)cc1

nearest known ligand 0.76

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.76
SMN1; SMN2 Q16637 2/20 0.76
MAPT P10636 3/20 0.64
GAA P10253 2/20 0.60
HTT P42858 1/20 0.60
THRB P10828 1/20 0.60
MEN1 O00255 1/20 0.56
KMT2A Q03164 1/20 0.56

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
SCHEMBL404263 1.00 ALDH1A1 (0.76) ALDH1A1SMN1; SMN2MAPTGAAHTT
SCHEMBL17249588 1.00 ALDH1A1 (0.76) ALDH1A1SMN1; SMN2MAPTGAAHTT
SCHEMBL10029261 1.00 ALDH1A1 (0.76) ALDH1A1SMN1; SMN2MAPTGAAHTT
SCHEMBL20006251 0.88 ALDH1A1 (0.60) ALDH1A1SMN1; SMN2MAPTGAAHTT
SCHEMBL404562 0.88 ALDH1A1 (0.78) ALDH1A1SMN1; SMN2MAPTGAAHTT
SCHEMBL10029228 0.88 ALDH1A1 (0.78) ALDH1A1SMN1; SMN2MAPTGAAHTT
SCHEMBL17249585 0.86 ALDH1A1 (0.76) ALDH1A1SMN1; SMN2MAPTGAAHTT
SCHEMBL404251 0.86 ALDH1A1 (1.00) ALDH1A1SMN1; SMN2MAPTGAAHTT
SCHEMBL10029232 0.86 ALDH1A1 (0.76) ALDH1A1SMN1; SMN2MAPTGAAHTT
SCHEMBL405810 0.86 ALDH1A1 (0.76) ALDH1A1SMN1; SMN2MAPTGAAHTT

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 3 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-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 672/4885MAPT 834/4885
US-20170088517-A1 METHODS OF PREPARING TECOVIRIMAT TYMP, NUDT1, HPRT1 ALDH1A1 2593/4885SMN1; SMN2 672/4885MAPT 834/4885

“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.