SCHEMBL12401830

SCHEMBL12401830

CCc1ncc(Cl)cc1C(C)(C)C

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CRHR1 P34998 1/20 0.36
HTT P42858 2/20 0.33
HPGD P15428 1/20 0.33
HSD17B10 Q99714 1/20 0.33
LMNA P02545 3/20 0.32
MAPK1 P28482 2/20 0.32
KDM4E B2RXH2 2/20 0.31
GAA P10253 1/20 0.31
GLA P06280 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
DHFR P00374 2/20 0.30
S1PR4 O95977 1/20 0.30
RXRA P19793 1/20 0.30
GRIN1 Q05586 1/20 0.30
GRIN2B Q13224 1/20 0.30
ALDH1A1 P00352 2/20 0.30
SMN1; SMN2 Q16637 2/20 0.30
MEN1 O00255 1/20 0.30
SLC22A1 O15245 1/20 0.30
TP53 P04637 1/20 0.30

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
SCHEMBL12294401 0.83 L3MBTL1 (0.41) CRHR1HTTHSD17B10GAAGLA
SCHEMBL25950824 0.83 LMNA (0.34) HTTLMNAMAPK1KDM4EGAA
SCHEMBL22923153 0.77 AGBL2 (0.39) DHFRRXRAGRIN1GRIN2BHSPA5
SCHEMBL23478377 0.76 IDO1 (0.39) HTTHPGDHSD17B10GLAL3MBTL1
SCHEMBL10264617 0.75 CRHR1 (0.46) CRHR1HTTHPGDHSD17B10LMNA
SCHEMBL10264977 0.75 HTT (0.33) HTTHPGDHSD17B10LMNAMAPK1
SCHEMBL22949453 0.74 L3MBTL1 (0.33) HTTHPGDHSD17B10LMNAMAPK1
SCHEMBL21737204 0.74 CRHR1 (0.39) CRHR1HTTHPGDHSD17B10LMNA
SCHEMBL13145646 0.74 L3MBTL1 (0.33) CRHR1HTTHPGDHSD17B10LMNA
SCHEMBL12886350 0.74 CRHR1 (0.39) CRHR1HTTHPGDHSD17B10LMNA

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-7964624-B1 Inhibitors of serine proteases VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-06-21 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 (1 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-20110182856-A1 INHIBITORS OF SERINE PROTEASES PRSS1, SPINT2, PRSS2 CRHR1 4387/4885HTT 3200/4885HPGD 1824/4885

“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.