SCHEMBL12401203

SCHEMBL12401203

CC(C)(C)C(=O)C(NC(=O)Cc1ccccc1)C(C)(C)C

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.54
KMT2A Q03164 2/20 0.54
CNR2 P34972 7/20 0.53
POLB P06746 1/20 0.51
ALDH1A1 P00352 3/20 0.50
HPGD P15428 2/20 0.50
CNR1 P21554 1/20 0.50
CYP1A2 P05177 2/20 0.49
CYP3A4 P08684 1/20 0.49
CYP2D6 P10635 1/20 0.49
CYP2C9 P11712 1/20 0.49
CYP2C19 P33261 1/20 0.49
EPHX2 P34913 1/20 0.49
PSMB8 P28062 1/20 0.48
PSMB5 P28074 1/20 0.48

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
SCHEMBL7894643 0.87 MEN1 (0.56) MEN1KMT2ACNR2POLBALDH1A1
SCHEMBL16114842 0.87 MEN1 (0.56) MEN1KMT2ACNR2POLBALDH1A1
SCHEMBL14943683 0.86 MEN1 (0.55) MEN1KMT2ACNR2POLBALDH1A1
SCHEMBL15219609 0.84 MEN1 (0.54) MEN1KMT2ACNR2POLBALDH1A1
SCHEMBL12401390 0.83 CYP1A2 (0.57) KMT2AALDH1A1CYP1A2CYP3A4CYP2C9
SCHEMBL12401076 0.83 CYP1A2 (0.57) KMT2AALDH1A1CYP1A2CYP3A4CYP2C9
SCHEMBL12482254 0.83 POLB (0.54) MEN1KMT2ACNR2POLBALDH1A1
SCHEMBL14664152 0.83 POLB (0.56) MEN1KMT2ACNR2POLBALDH1A1
SCHEMBL12401138 0.82 POLB (0.53) MEN1KMT2APOLBALDH1A1CYP3A4
SCHEMBL12401227 0.81 NPC1 (0.46) MEN1KMT2APOLBALDH1A1HPGD

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 MEN1 2930/4885KMT2A 3222/4885CNR2 4832/4885
US-20070179167-A1 Inhibitors of serine proteases PRSS1, PRSS3, PRSS2 MEN1 2930/4885KMT2A 3222/4885CNR2 4832/4885
US-20100272681-A1 Inhibitors of Serine Proteases SERPINB1, PRSS1, SPINT2 MEN1 4026/4885KMT2A 3161/4885CNR2 4186/4885
US-20110182856-A1 INHIBITORS OF SERINE PROTEASES PRSS1, SPINT2, PRSS2 MEN1 3395/4885KMT2A 2779/4885CNR2 4814/4885

“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.