SCHEMBL12401693

SCHEMBL12401693

CCCC(NC(C)(C)C)C(=O)C(=O)NCc1csc(-c2ccccc2)n1

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.49
RAB9A P51151 2/20 0.47
NPC1 O15118 1/20 0.47
KDM4E B2RXH2 1/20 0.47
LMNA P02545 3/20 0.46
ALDH1A1 P00352 2/20 0.44
POLB P06746 1/20 0.44
GAA P10253 1/20 0.44
HSD17B10 Q99714 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.43
ATM Q13315 1/20 0.43
MAPT P10636 1/20 0.43
TP53 P04637 1/20 0.43

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
SCHEMBL14943459 0.88 HPGD (0.52) HPGDRAB9ANPC1KDM4ELMNA
SCHEMBL12330806 0.84 HPGD (0.52) HPGDRAB9ANPC1KDM4ELMNA
SCHEMBL12401673 0.81 CTSK (0.59) RAB9ALMNAALDH1A1POLBSMN1; SMN2
SCHEMBL15338695 0.75 HPGD (0.55) HPGDRAB9ANPC1KDM4ELMNA
SCHEMBL12401725 0.75 RAB9A (0.57) RAB9ALMNAALDH1A1GAASMN1; SMN2
SCHEMBL12404668 0.74 HPGD (0.49) HPGDRAB9ANPC1KDM4ELMNA
SCHEMBL16317048 0.73 CTSK (0.57) KDM4ELMNAALDH1A1POLBMAPT
SCHEMBL12401711 0.73 ALDH1A1 (0.47) HPGDRAB9AKDM4EALDH1A1POLB
SCHEMBL12404691 0.72 KMT2A (0.47) RAB9ANPC1KDM4ELMNAALDH1A1
SCHEMBL12565757 0.72 HPGD (0.59) HPGDRAB9ANPC1KDM4ELMNA

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 HPGD 1806/4885RAB9A 2004/4885NPC1 252/4885
US-20070179167-A1 Inhibitors of serine proteases PRSS1, PRSS3, PRSS2 HPGD 1806/4885RAB9A 2004/4885NPC1 252/4885
US-20100272681-A1 Inhibitors of Serine Proteases SERPINB1, PRSS1, SPINT2 HPGD 1247/4885RAB9A 3172/4885NPC1 622/4885
US-20110182856-A1 INHIBITORS OF SERINE PROTEASES PRSS1, SPINT2, PRSS2 HPGD 1824/4885RAB9A 2014/4885NPC1 211/4885

“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.