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Sugi Predict / Compounds / SCHEMBL12401204

SCHEMBL12401204

SCHEMBL12401204

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

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MMP1 P03956 6/20 0.39
▸ MMP3 P08254 6/20 0.39
▸ MMP9 P14780 6/20 0.39
▸ MMP2 P08253 4/20 0.39
▸ MMP8 P22894 3/20 0.39
▸ MMP13 P45452 3/20 0.39
▸ MMP14 P50281 2/20 0.39
▸ ADAM17 P78536 2/20 0.39
▸ PTPN1 P18031 1/20 0.38
▸ CYP1A2 P05177 1/20 0.38
▸ CYP3A4 P08684 1/20 0.38
▸ CYP2D6 P10635 1/20 0.38
▸ CYP2C9 P11712 1/20 0.38
▸ CYP2C19 P33261 1/20 0.38
▸ GAA P10253 3/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ NPSR1 Q6W5P4 1/20 0.35
▸ GPR55 Q9Y2T6 1/20 0.35
▸ HPGD P15428 2/20 0.34
▸ ALDH1A1 P00352 2/20 0.34

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
SCHEMBL14943363 0.82 MMP1 (0.40) MMP1MMP3MMP9MMP2MMP8
SCHEMBL19888909 0.81 MMP1 (0.39) MMP1MMP3MMP9MMP2MMP8
SCHEMBL12401401 0.80 CYP2C9 (0.42) MMP1MMP3MMP9MMP2MMP8
SCHEMBL12468317 0.79 GAA (0.40) MMP1MMP3MMP9MMP2MMP8
SCHEMBL12401210 0.78 SMN1; SMN2 (0.36) MMP1MMP3MMP9MMP2MMP8
SCHEMBL12401380 0.78 SMN1; SMN2 (0.36) MMP1MMP3MMP9MMP2MMP8
SCHEMBL12401154 0.76 PHF8 (0.39) MMP13LMNA
SCHEMBL12401071 0.76 ALDH1A1 (0.37) MMP13ALDH1A1LMNA
SCHEMBL15116375 0.75 CYP3A4 (0.44) PTPN1CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL12401352 0.74 MAPT (0.46) MMP1MMP3MMP9MMP2MMP8

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 MMP1 523/4885MMP3 95/4885MMP9 197/4885
US-20070179167-A1 Inhibitors of serine proteases PRSS1, PRSS3, PRSS2 MMP1 523/4885MMP3 95/4885MMP9 197/4885
US-20100272681-A1 Inhibitors of Serine Proteases SERPINB1, PRSS1, SPINT2 MMP1 871/4885MMP3 185/4885MMP9 873/4885
US-20110182856-A1 INHIBITORS OF SERINE PROTEASES PRSS1, SPINT2, PRSS2 MMP1 599/4885MMP3 84/4885MMP9 245/4885

“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.