SCHEMBL12401289

SCHEMBL12401289

CC(C)(C)C(=O)C(NC(=O)Cc1ccc2c(c1Cl)OCO2)C(C)(C)C

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PRKACA P17612 1/20 0.49
ROCK1 Q13464 1/20 0.49
ACVRL1 P37023 3/20 0.35
LMNA P02545 1/20 0.34
ALDH1A1 P00352 3/20 0.34
HTT P42858 2/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
POLB P06746 1/20 0.34
HPGD P15428 1/20 0.34
P2RX7 Q99572 1/20 0.33
MAPT P10636 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
SRC P12931 1/20 0.33
TRPV1 Q8NER1 1/20 0.32
FPR1 P21462 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32

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
SCHEMBL12413585 0.90 PRKACA (0.48) PRKACAROCK1ACVRL1LMNAALDH1A1
SCHEMBL12401288 0.78 P2RX7 (0.51) ROCK1LMNAALDH1A1SMN1; SMN2HPGD
SCHEMBL15368939 0.77 LMNA (0.36) PRKACAROCK1LMNAALDH1A1SMN1; SMN2
SCHEMBL14943390 0.75 MAPT (0.37) PRKACAROCK1ACVRL1LMNAALDH1A1
SCHEMBL12401227 0.69 NPC1 (0.46) ALDH1A1SMN1; SMN2POLBHPGDNPC1
SCHEMBL14370481 0.68 AOC3 (0.42) PRKACAROCK1ACVRL1ALDH1A1HPGD
SCHEMBL12413584 0.67 ALDH1A1 (0.51) ROCK1LMNAALDH1A1SMN1; SMN2HPGD
SCHEMBL12401203 0.67 MEN1 (0.54) ALDH1A1POLBHPGDMEN1KMT2A
SCHEMBL12401247 0.65 ANO1 (0.38) LMNAALDH1A1HTTSMN1; SMN2HPGD
SCHEMBL12467403 0.65 ALDH1A1 (0.49) ROCK1ALDH1A1SMN1; SMN2HPGDP2RX7

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 PRKACA 3382/4885ROCK1 3310/4885ACVRL1 4647/4885
US-20070179167-A1 Inhibitors of serine proteases PRSS1, PRSS3, PRSS2 PRKACA 3382/4885ROCK1 3310/4885ACVRL1 4647/4885
US-20100272681-A1 Inhibitors of Serine Proteases SERPINB1, PRSS1, SPINT2 PRKACA 3284/4885ROCK1 2761/4885ACVRL1 4425/4885
US-20110182856-A1 INHIBITORS OF SERINE PROTEASES PRSS1, SPINT2, PRSS2 PRKACA 3705/4885ROCK1 3468/4885ACVRL1 4701/4885

“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.