SCHEMBL888900

SCHEMBL888900

CC(C)c1cccc(-c2ccc3sc(C(C)C)nc3c2)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AAK1 Q2M2I8 2/20 0.46
RXRA P19793 1/20 0.43
RXRB P28702 1/20 0.43
RXRG P48443 1/20 0.43
RAB9A P51151 3/20 0.42
MAPT P10636 2/20 0.42
PAX8 Q06710 1/20 0.42
NOD2 Q9HC29 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
HDAC3 O15379 1/20 0.39
HDAC1 Q13547 1/20 0.39
HDAC2 Q92769 1/20 0.39
HDAC8 Q9BY41 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
PTPN5 P54829 2/20 0.38
NPC1 O15118 2/20 0.38
HPGD P15428 1/20 0.38
SCN4A P35499 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
CTSS P25774 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
SCHEMBL888952 0.86 AAK1 (0.52) AAK1RAB9AMAPTPAX8NOD2
SCHEMBL12810070 0.85 AAK1 (0.46) AAK1RAB9AMAPTSMN1; SMN2LIPG
SCHEMBL889391 0.82 RAB9A (0.49) AAK1RAB9AMAPTPAX8NOD2
SCHEMBL12810257 0.80 AAK1 (0.52) AAK1RAB9AMAPTPAX8NOD2
SCHEMBL888959 0.75 PIK3CD (0.51) AAK1PIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL888881 0.74 RAB9A (0.51) AAK1RAB9AMAPTPAX8NOD2
SCHEMBL888965 0.73 AAK1 (0.43) AAK1RAB9AMAPTPAX8NOD2
SCHEMBL5352034 0.73 RXRA (0.62) RXRARXRBRXRGMAPTL3MBTL1
SCHEMBL798519 0.73 RAB9A (0.67) RAB9AMAPTPAX8NOD2L3MBTL1
SCHEMBL890259 0.73 CASR (0.51) AAK1RAB9AMAPTNPC1SMN1; SMN2

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 3 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
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 3453/4885RXRA 3191/4885RXRB 2963/4885

“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.