SCHEMBL12404698

SCHEMBL12404698

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

nearest known ligand 0.43

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
NR1I2 O75469 2/20 0.38
PKM P14618 1/20 0.36
HDAC4 P56524 1/20 0.35
HDAC1 Q13547 1/20 0.35

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 0.85 PKM (0.36) NR1I2PKMHDAC4HDAC1
SCHEMBL12401538 0.85 SMN1; SMN2 (0.36) HDAC4HDAC1
SCHEMBL15368934 0.85 PKM (0.38) NR1I2PKM
SCHEMBL12401540 0.85 SMN1; SMN2 (0.36) HDAC4HDAC1
SCHEMBL12401744 0.81 PKM (0.37) PKMHDAC4HDAC1
SCHEMBL12401723 0.80 HDAC4 (0.33) HDAC4HDAC1
SCHEMBL12401717 0.79 SMN1; SMN2 (0.43) HDAC4HDAC1
SCHEMBL12401730 0.79 CAPN1 (0.42) HDAC4HDAC1
SCHEMBL12401552 0.79 KMT2A (0.36) HDAC4HDAC1
SCHEMBL12401551 0.79 KMT2A (0.36) HDAC4HDAC1

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 NR1I2 1404/4885PKM 3394/4885HDAC4 934/4885
US-20100272681-A1 Inhibitors of Serine Proteases SERPINB1, PRSS1, SPINT2 NR1I2 2513/4885PKM 3929/4885HDAC4 893/4885

“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.