SCHEMBL12401775

SCHEMBL12401775

CN1CCOc2cc(C(C)(C)C)cc(Cl)c21

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 3/20 0.34
TP53 P04637 1/20 0.34
P2RX7 Q99572 1/20 0.32
POLB P06746 1/20 0.31
AR P10275 1/20 0.31
MEN1 O00255 1/20 0.31
GAA P10253 1/20 0.31
MAPK1 P28482 1/20 0.31
KMT2A Q03164 1/20 0.31
ADRA2A P08913 1/20 0.31
ADRA2B P18089 1/20 0.31
ADRA2C P18825 1/20 0.31
HTR1D P28221 1/20 0.31
TDP1 Q9NUW8 1/20 0.30
GRM5 P41594 2/20 0.30
CYP11B1 P15538 1/20 0.30
CYP11B2 P19099 1/20 0.30
GABRA2 P47869 1/20 0.30
GABRB2 P47870 1/20 0.30
FGB P02675 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
SCHEMBL12330731 0.82 L3MBTL1 (0.36) L3MBTL1TP53P2RX7POLBMEN1
SCHEMBL12401758 0.71 HDAC4 (0.35) MEN1MAPK1KMT2AGABRB2
SCHEMBL762005 0.71 CYP11B1 (0.49) L3MBTL1TP53POLBARMEN1
SCHEMBL2450372 0.71 ALDH1A1 (0.36) L3MBTL1P2RX7MEN1GAAMAPK1
SCHEMBL20348494 0.70 P2RX7 (0.44) TP53P2RX7MEN1GAAMAPK1
SCHEMBL12401783 0.70 NOTUM (0.36) TP53MEN1GAAKMT2AADRA2A
SCHEMBL31180347 0.70 MAPK1 (0.31) P2RX7MAPK1
SCHEMBL2270423 0.69 TP53 (0.36) L3MBTL1TP53P2RX7POLBMEN1
SCHEMBL762353 0.69 ALDH1A1 (0.45) L3MBTL1POLBARKMT2ATDP1
SCHEMBL11922134 0.69 GRM5 (0.53) GRM5CYP11B1CYP11B2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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 (3 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 L3MBTL1 3011/4885TP53 396/4885P2RX7 4257/4885
US-20070179167-A1 Inhibitors of serine proteases PRSS1, PRSS3, PRSS2 L3MBTL1 3011/4885TP53 396/4885P2RX7 4257/4885
US-20110182856-A1 INHIBITORS OF SERINE PROTEASES PRSS1, SPINT2, PRSS2 L3MBTL1 3090/4885TP53 435/4885P2RX7 4331/4885

“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.