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Sugi Predict / Compounds / SCHEMBL12401210

SCHEMBL12401210

SCHEMBL12401210

CC(C)(C)CC(=O)NC(C(=O)C(C)(C)C)C(C)(C)C

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 3/20 0.36
▸ HTT P42858 1/20 0.36
▸ HPGD P15428 4/20 0.35
▸ RAB9A P51151 2/20 0.35
▸ GAA P10253 1/20 0.35
▸ MAPT P10636 1/20 0.35
▸ MEN1 O00255 2/20 0.34
▸ KMT2A Q03164 2/20 0.34
▸ MMP1 P03956 6/20 0.33
▸ MMP3 P08254 6/20 0.33
▸ MMP2 P08253 5/20 0.33
▸ MMP9 P14780 3/20 0.33
▸ MMP8 P22894 1/20 0.33
▸ MMP13 P45452 1/20 0.33
▸ MMP14 P50281 1/20 0.33
▸ ADAM17 P78536 1/20 0.33
▸ CA1 P00915 1/20 0.33
▸ CA2 P00918 1/20 0.33
▸ CA7 P43166 1/20 0.33
▸ CA14 Q9ULX7 1/20 0.33

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
SCHEMBL12401380 1.00 SMN1; SMN2 (0.36) SMN1; SMN2HTTHPGDRAB9AGAA
SCHEMBL12401398 0.82 — —
SCHEMBL14943686 0.82 SMN1; SMN2 (0.37) SMN1; SMN2HTTHPGDRAB9AGAA
SCHEMBL13449084 0.82 HPGD (0.40) SMN1; SMN2HTTHPGDRAB9AGAA
SCHEMBL12401401 0.82 CYP2C9 (0.42) SMN1; SMN2MAPTMEN1KMT2AMMP1
SCHEMBL15219743 0.82 SMN1; SMN2 (0.37) SMN1; SMN2HTTHPGDRAB9AGAA
SCHEMBL12401170 0.80 MEN1 (0.34) HTTMEN1KMT2A
SCHEMBL12468401 0.78 MMP1 (0.33) SMN1; SMN2HTTHPGDRAB9AGAA
SCHEMBL12481781 0.78 MMP1 (0.33) SMN1; SMN2HTTHPGDRAB9AGAA
SCHEMBL12401204 0.78 MMP1 (0.39) SMN1; SMN2HPGDGAAMAPTMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8575208-B2 Inhibitors of serine proteases VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-11-05 — — US disclosed
US-8440706-B2 Inhibitors of serine proteases VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-05-14 — — US disclosed
US-8372873-B2 Inhibitors of serine proteases VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-02-12 — — US disclosed
US-20110182856-A1 INHIBITORS OF SERINE PROTEASES VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-07-28 — — US disclosed
US-7985762-B2 Inhibitors of serine proteases VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-07-26 — — US disclosed
US-20110165120-A1 INHIBITORS OF SERINE PROTEASES VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-07-07 — — US disclosed
US-7964624-B1 Inhibitors of serine proteases VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-06-21 — — US disclosed
US-20100272681-A1 Inhibitors of Serine Proteases VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-10-28 — — US disclosed
US-20070179167-A1 Inhibitors of serine proteases VERTEX PHARMACEUTICALS INCORPORATED 2007-08-02 — — 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 (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-20110165120-A1 INHIBITORS OF SERINE PROTEASES PRSS1, PRSS3, PRSS2 SMN1; SMN2 2265/4885HTT 3023/4885HPGD 1806/4885
US-20070179167-A1 Inhibitors of serine proteases PRSS1, PRSS3, PRSS2 SMN1; SMN2 2265/4885HTT 3023/4885HPGD 1806/4885
US-20100272681-A1 Inhibitors of Serine Proteases SERPINB1, PRSS1, SPINT2 SMN1; SMN2 2646/4885HTT 2958/4885HPGD 1247/4885
US-20110182856-A1 INHIBITORS OF SERINE PROTEASES PRSS1, SPINT2, PRSS2 SMN1; SMN2 2156/4885HTT 3200/4885HPGD 1824/4885

“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.