SCHEMBL888952

SCHEMBL888952

CC(C)c1ccc(-c2ccc3sc(C(C)C)nc3c2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AAK1 Q2M2I8 2/20 0.52
RAB9A P51151 4/20 0.49
MAPT P10636 4/20 0.49
L3MBTL1 Q9Y468 2/20 0.49
PAX8 Q06710 1/20 0.49
NOD2 Q9HC29 1/20 0.49
HDAC6 Q9UBN7 3/20 0.47
HDAC3 O15379 2/20 0.47
HDAC1 Q13547 2/20 0.47
HDAC2 Q92769 2/20 0.47
HDAC8 Q9BY41 1/20 0.47
PIK3CD O00329 1/20 0.43
PIK3CA P42336 1/20 0.43
PIK3CB P42338 1/20 0.43
PIK3CG P48736 1/20 0.43
SMN1; SMN2 Q16637 4/20 0.41
NPC1 O15118 3/20 0.41
SCN4A P35499 1/20 0.41
KDM4E B2RXH2 2/20 0.38
HPGD P15428 1/20 0.38

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
SCHEMBL888881 0.87 RAB9A (0.51) AAK1RAB9AMAPTL3MBTL1PAX8
SCHEMBL12810257 0.87 AAK1 (0.52) AAK1RAB9AMAPTL3MBTL1PAX8
SCHEMBL889391 0.86 RAB9A (0.49) AAK1RAB9AMAPTL3MBTL1PAX8
SCHEMBL888900 0.86 AAK1 (0.46) AAK1RAB9AMAPTL3MBTL1PAX8
SCHEMBL12810070 0.80 AAK1 (0.46) AAK1RAB9AMAPTSMN1; SMN2MEN1
SCHEMBL888959 0.79 PIK3CD (0.51) AAK1PIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL31085165 0.79 UGT2B7 (0.44) AAK1RAB9AMAPTL3MBTL1PAX8
SCHEMBL15481036 0.78 SMN1; SMN2 (0.56) AAK1RAB9AHDAC6SMN1; SMN2NPC1
SCHEMBL888965 0.77 AAK1 (0.43) AAK1RAB9AMAPTL3MBTL1PAX8
SCHEMBL798519 0.76 RAB9A (0.67) RAB9AMAPTL3MBTL1PAX8NOD2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8759332-B2 Hepatitis C virus inhibitors ENANTA PHARMACEUTICALS, INC. (US) 2014-06-24 US disclosed
US-20110064697-A1 HEPATITIS C VIRUS INHIBITORS ENANTA PHARMACEUTICALS, INC. 2011-03-17 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 (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-20110064697-A1 HEPATITIS C VIRUS INHIBITORS HAVCR2, EIF2AK2, SLC10A1 AAK1 3453/4885RAB9A 3060/4885MAPT 4286/4885

“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.