Sugi Predict

Sugi Predict / Compounds / SCHEMBL12401552

SCHEMBL12401552

SCHEMBL12401552

CC(C)(C)NC(CC1CC1)C(=O)C(=O)NC1CC1

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 1/20 0.36
▸ CPB2 Q96IY4 1/20 0.35
▸ CTSS P25774 1/20 0.35
▸ CTSK P43235 1/20 0.35
▸ CTSB P07858 1/20 0.34
▸ EPHX2 P34913 1/20 0.33
▸ HDAC4 P56524 1/20 0.33
▸ HDAC1 Q13547 1/20 0.33
▸ EPHX1 P07099 1/20 0.33
▸ GAA P10253 1/20 0.33
▸ RAB9A P51151 1/20 0.33
▸ SMN1; SMN2 Q16637 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
SCHEMBL12401551 1.00 KMT2A (0.36) KMT2ACPB2CTSSCTSKCTSB
SCHEMBL12401659 0.94 CPB2 (0.38) CPB2CTSSCTSKCTSBHDAC4
SCHEMBL12401547 0.85 CTSS (0.37) CPB2CTSSCTSKCTSB
SCHEMBL12401544 0.85 CTSS (0.37) CPB2CTSSCTSKCTSB
SCHEMBL14943239 0.82 KMT2A (0.39) KMT2ACPB2CTSSCTSKEPHX2
SCHEMBL16328152 0.82 KMT2A (0.39) KMT2ACPB2CTSSCTSKEPHX2
SCHEMBL12401730 0.81 CAPN1 (0.42) CTSSCTSKCTSBHDAC4HDAC1
SCHEMBL12401538 0.81 SMN1; SMN2 (0.36) CTSSCTSKCTSBHDAC4HDAC1
SCHEMBL12401540 0.81 SMN1; SMN2 (0.36) CTSSCTSKCTSBHDAC4HDAC1
SCHEMBL12401550 0.81 CTSK (0.37) KMT2ACPB2CTSSCTSKCTSB

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 KMT2A 3222/4885CPB2 109/4885CTSS 67/4885
US-20070179167-A1 Inhibitors of serine proteases PRSS1, PRSS3, PRSS2 KMT2A 3222/4885CPB2 109/4885CTSS 67/4885
US-20100272681-A1 Inhibitors of Serine Proteases SERPINB1, PRSS1, SPINT2 KMT2A 3161/4885CPB2 95/4885CTSS 31/4885
US-20110182856-A1 INHIBITORS OF SERINE PROTEASES PRSS1, SPINT2, PRSS2 KMT2A 2779/4885CPB2 92/4885CTSS 77/4885

“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.