Sugi Predict

Sugi Predict / Compounds / SCHEMBL12401744

SCHEMBL12401744

SCHEMBL12401744

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

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ PKM P14618 1/20 0.37
▸ CTSB P07858 2/20 0.34
▸ CTSL P07711 1/20 0.34
▸ CTSK P43235 1/20 0.34
▸ CAPN1 P07384 1/20 0.32
▸ HDAC4 P56524 1/20 0.32
▸ HDAC1 Q13547 1/20 0.32
▸ RAB9A P51151 2/20 0.32
▸ SMN1; SMN2 Q16637 2/20 0.32
▸ EPHX1 P07099 1/20 0.32
▸ GAA P10253 1/20 0.32
▸ NPC1 O15118 1/20 0.32
▸ MAPT P10636 1/20 0.32

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
SCHEMBL12404697 0.87 PKM (0.36) PKMHDAC4HDAC1RAB9ASMN1; SMN2
SCHEMBL12401730 0.86 CAPN1 (0.42) CTSBCTSLCTSKCAPN1HDAC4
SCHEMBL8141407 0.83 CAPN1 (0.36) PKMCTSBCTSLCTSKCAPN1
SCHEMBL12404698 0.81 NR1I2 (0.38) PKMHDAC4HDAC1
SCHEMBL12401538 0.80 SMN1; SMN2 (0.36) CTSBCTSLCTSKHDAC4HDAC1
SCHEMBL12401551 0.80 KMT2A (0.36) CTSBCTSKHDAC4HDAC1RAB9A
SCHEMBL12401540 0.80 SMN1; SMN2 (0.36) CTSBCTSLCTSKHDAC4HDAC1
SCHEMBL12401552 0.80 KMT2A (0.36) CTSBCTSKHDAC4HDAC1RAB9A
SCHEMBL12482057 0.80 PKM (0.34) PKMCTSBCTSLCTSKCAPN1
SCHEMBL12401659 0.78 CPB2 (0.38) CTSBCTSLCTSKHDAC4HDAC1

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 PKM 3394/4885CTSB 129/4885CTSL 69/4885
US-20070179167-A1 Inhibitors of serine proteases PRSS1, PRSS3, PRSS2 PKM 3394/4885CTSB 129/4885CTSL 69/4885
US-20100272681-A1 Inhibitors of Serine Proteases SERPINB1, PRSS1, SPINT2 PKM 3929/4885CTSB 41/4885CTSL 10/4885
US-20110182856-A1 INHIBITORS OF SERINE PROTEASES PRSS1, SPINT2, PRSS2 PKM 3458/4885CTSB 142/4885CTSL 63/4885

“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.