SCHEMBL12404697

SCHEMBL12404697

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

nearest known ligand 0.43

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.36
GAA P10253 1/20 0.34
RAB9A P51151 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
HDAC4 P56524 2/20 0.34
HDAC1 Q13547 2/20 0.34
NR1I2 O75469 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
SCHEMBL12401744 0.87 PKM (0.37) PKMGAARAB9ASMN1; SMN2HDAC4
SCHEMBL12404698 0.85 NR1I2 (0.38) PKMHDAC4HDAC1NR1I2
SCHEMBL12401538 0.85 SMN1; SMN2 (0.36) GAARAB9ASMN1; SMN2HDAC4HDAC1
SCHEMBL12401540 0.85 SMN1; SMN2 (0.36) GAARAB9ASMN1; SMN2HDAC4HDAC1
SCHEMBL15368937 0.83 RAB9A (0.36) PKMGAARAB9ASMN1; SMN2
SCHEMBL12401723 0.80 HDAC4 (0.33) GAARAB9ASMN1; SMN2HDAC4HDAC1
SCHEMBL12401717 0.79 SMN1; SMN2 (0.43) GAARAB9ASMN1; SMN2HDAC4HDAC1
SCHEMBL12401730 0.79 CAPN1 (0.42) GAARAB9ASMN1; SMN2HDAC4HDAC1
SCHEMBL12401552 0.79 KMT2A (0.36) GAARAB9ASMN1; SMN2HDAC4HDAC1
SCHEMBL12401551 0.79 KMT2A (0.36) GAARAB9ASMN1; SMN2HDAC4HDAC1

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 4 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-7985762-B2 Inhibitors of serine proteases VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-07-26 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 (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-20070179167-A1 Inhibitors of serine proteases PRSS1, PRSS3, PRSS2 PKM 3394/4885GAA 773/4885RAB9A 2004/4885
US-20100272681-A1 Inhibitors of Serine Proteases SERPINB1, PRSS1, SPINT2 PKM 3929/4885GAA 751/4885RAB9A 3172/4885

“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.