SCHEMBL12401164

SCHEMBL12401164

CC(C)(C)C(=O)C(NC(=O)Nc1cccnc1)C(C)(C)C

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 7/20 0.54
NPC1 O15118 7/20 0.54
TSHR P16473 2/20 0.51
MEN1 O00255 5/20 0.50
KMT2A Q03164 5/20 0.50
ALDH1A1 P00352 2/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
HTT P42858 1/20 0.50
KDM4E B2RXH2 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
LMNA P02545 2/20 0.49
MAPT P10636 2/20 0.49
CDK2 P24941 1/20 0.49
FLT4 P35916 1/20 0.49
POLB P06746 1/20 0.48
P2RX4 Q99571 1/20 0.48
NAMPT P43490 1/20 0.48
ATM Q13315 1/20 0.48
TAAR1 Q96RJ0 1/20 0.48
PKM P14618 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
SCHEMBL14943436 0.89 RAB9A (0.55) RAB9ANPC1TSHRMEN1KMT2A
SCHEMBL12468403 0.85 RAB9A (0.52) RAB9ANPC1MEN1KMT2AALDH1A1
SCHEMBL12412304 0.82 HSD17B10 (0.54) RAB9ANPC1TSHRMEN1KMT2A
SCHEMBL12448114 0.79 RAB9A (0.62) RAB9ANPC1TSHRMEN1KMT2A
SCHEMBL12401273 0.79 SMN1; SMN2 (0.54) MEN1KMT2AALDH1A1SMN1; SMN2HTT
SCHEMBL30051982 0.77 MEN1 (0.77) RAB9ANPC1TSHRMEN1KMT2A
SCHEMBL9637653 0.77 MEN1 (0.77) RAB9ANPC1TSHRMEN1KMT2A
SCHEMBL12156880 0.76 RAB9A (0.62) RAB9ANPC1TSHRMEN1KMT2A
SCHEMBL12401076 0.76 CYP1A2 (0.57) KMT2AALDH1A1HTTLMNAMAPT
SCHEMBL12401390 0.76 CYP1A2 (0.57) KMT2AALDH1A1HTTLMNAMAPT

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 2004/4885NPC1 252/4885TSHR 4684/4885
US-20070179167-A1 Inhibitors of serine proteases PRSS1, PRSS3, PRSS2 RAB9A 2004/4885NPC1 252/4885TSHR 4684/4885
US-20100272681-A1 Inhibitors of Serine Proteases SERPINB1, PRSS1, SPINT2 RAB9A 3172/4885NPC1 622/4885TSHR 4796/4885
US-20110182856-A1 INHIBITORS OF SERINE PROTEASES PRSS1, SPINT2, PRSS2 RAB9A 2014/4885NPC1 211/4885TSHR 4770/4885

“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.