SCHEMBL10163448

SCHEMBL10163448

CCc1ccc(NC(=O)Cc2ccccc2)cc1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.73
RAB9A P51151 3/20 0.69
SMN1; SMN2 Q16637 3/20 0.69
BCHE P06276 3/20 0.69
ACHE P22303 3/20 0.69
NPC1 O15118 2/20 0.69
LMNA P02545 1/20 0.69
MEN1 O00255 3/20 0.68
KMT2A Q03164 3/20 0.68
HPGD P15428 1/20 0.68
RORC P51449 2/20 0.67
ALDH1A1 P00352 1/20 0.67
MAPT P10636 1/20 0.67
PRMT1 Q99873 1/20 0.64
HDAC3 O15379 2/20 0.63
HDAC1 Q13547 2/20 0.63
HDAC2 Q92769 2/20 0.63
HDAC8 Q9BY41 2/20 0.63
HDAC6 Q9UBN7 2/20 0.63
GAA P10253 1/20 0.63

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
SCHEMBL25737005 0.95 EPHX2 (0.76) EPHX2RAB9ASMN1; SMN2BCHEACHE
SCHEMBL18416953 0.87 EPHX2 (0.69) EPHX2RAB9ASMN1; SMN2BCHEACHE
SCHEMBL3166771 0.86 SMN1; SMN2 (0.69) EPHX2RAB9ASMN1; SMN2BCHEACHE
SCHEMBL5175200 0.86 EPHX2 (0.79) EPHX2RAB9ASMN1; SMN2BCHEACHE
SCHEMBL13290702 0.86 EPHX2 (0.79) EPHX2RAB9ASMN1; SMN2BCHEACHE
SCHEMBL10054999 0.85 EPHX2 (0.92) EPHX2RAB9ASMN1; SMN2BCHEACHE
SCHEMBL1516167 0.85 EPHX2 (1.00) EPHX2RAB9ASMN1; SMN2BCHEACHE
SCHEMBL13185620 0.85 MEN1 (0.71) RAB9ASMN1; SMN2NPC1LMNAMEN1
SCHEMBL4732332 0.84 EPHX2 (0.76) EPHX2RAB9ASMN1; SMN2BCHEACHE
SCHEMBL257816 0.84 EPHX2 (0.76) EPHX2RAB9ASMN1; SMN2BCHEACHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130012430-A1 INHIBITORS OF SERINE PROTEASES, PARTICULARLY HEPATITIS C VIRUS NS3 PROTEASE VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-01-10 US disclosed
US-8314141-B2 Inhibitors of serine proteases, particularly hepatitis C virus NS3 protease VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-11-20 US disclosed
EP-2409985-A2 Inhibitors de serine proteases, especially of the NS3 protease of the hepatitis C virus VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-01-25 EP disclosed
EP-2314598-A1 Inhibitors of Hepatitis C virus NS3 serine protease VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-04-27 EP disclosed
US-20090143312-A1 INHIBITORS OF SERINE PROTEASES, PARTICULARLY HEPATITIS C VIRUS NS3 PROTEASE VERTEX PHARMACEUTICALS INCORPORATED (US) 2009-06-04 US disclosed
US-7388017-B2 Inhibitors of serine proteases, particularly hepatitis C virus NS3 protease VERTEX PHARMACEUTICALS INCORPORATED (US) 2008-06-17 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 (2 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-20090143312-A1 INHIBITORS OF SERINE PROTEASES, PARTICULARLY HEPATITIS C VIRUS NS3 PROTEASE HPN, PRSS1, PRSS3 EPHX2 2103/4885RAB9A 2660/4885SMN1; SMN2 3883/4885
US-20130012430-A1 INHIBITORS OF SERINE PROTEASES, PARTICULARLY HEPATITIS C VIRUS NS3 PROTEASE HPN, PRSS1, PRSS3 EPHX2 2103/4885RAB9A 2660/4885SMN1; SMN2 3883/4885

“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.