SCHEMBL12401266

SCHEMBL12401266

COc1cccc(CCC(=O)NC(C(=O)C(C)(C)C)C(C)(C)C)c1

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 1/20 0.53
HDAC1 Q13547 1/20 0.50
HDAC6 Q9UBN7 1/20 0.50
GAA P10253 1/20 0.48
MTNR1A P48039 2/20 0.47
MTNR1B P49286 2/20 0.47
CHRM2 P08172 1/20 0.47
CHRM1 P11229 1/20 0.47
CHRM3 P20309 1/20 0.47
ADORA3 P0DMS8 1/20 0.47
MAOB P27338 1/20 0.47
ADORA2A P29274 1/20 0.47
ADORA2B P29275 1/20 0.47
ADORA1 P30542 1/20 0.47
GLA P06280 1/20 0.47
ALDH1A1 P00352 1/20 0.46

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
SCHEMBL14943217 0.89 HDAC1 (0.51) RAB9AHDAC1HDAC6GAAMTNR1A
SCHEMBL12401138 0.89 POLB (0.53) RAB9AGAAALDH1A1
SCHEMBL12481821 0.87 MTNR1A (0.52) RAB9AHDAC1HDAC6GAAMTNR1A
SCHEMBL12401162 0.81 NPC1 (0.55) RAB9AHDAC1HDAC6ALDH1A1
SCHEMBL20132957 0.81 ALDH1A1 (0.69) RAB9AHDAC1HDAC6GAAMTNR1A
SCHEMBL12330142 0.78 POLB (0.51) RAB9AMTNR1AMTNR1BALDH1A1
SCHEMBL27551850 0.77 HDAC1 (0.53) RAB9AHDAC1HDAC6GAAMTNR1A
SCHEMBL11413236 0.76 HDAC6 (0.79) RAB9AHDAC1HDAC6GAAMTNR1A
SCHEMBL18089044 0.76 HDAC1 (0.62) RAB9AHDAC1HDAC6GAAMTNR1A
SCHEMBL13543222 0.76 CYP24A1 (0.57) RAB9AHDAC1HDAC6MTNR1AMTNR1B

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 RAB9A 2004/4885HDAC1 675/4885HDAC6 1509/4885
US-20070179167-A1 Inhibitors of serine proteases PRSS1, PRSS3, PRSS2 RAB9A 2004/4885HDAC1 675/4885HDAC6 1509/4885
US-20100272681-A1 Inhibitors of Serine Proteases SERPINB1, PRSS1, SPINT2 RAB9A 3172/4885HDAC1 1075/4885HDAC6 1106/4885
US-20110182856-A1 INHIBITORS OF SERINE PROTEASES PRSS1, SPINT2, PRSS2 RAB9A 2014/4885HDAC1 770/4885HDAC6 1389/4885

“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.