SCHEMBL888965

SCHEMBL888965

CC(C)c1ccc(-c2ccc3sc(C(C)C)nc3c2)s1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AAK1 Q2M2I8 2/20 0.43
TRPV1 Q8NER1 1/20 0.34
LOXL2 Q9Y4K0 1/20 0.34
PIK3CD O00329 1/20 0.34
PIK3CA P42336 1/20 0.34
PIK3CB P42338 1/20 0.34
PIK3CG P48736 1/20 0.34
HDAC3 O15379 1/20 0.34
HDAC1 Q13547 1/20 0.34
HDAC2 Q92769 1/20 0.34
HDAC8 Q9BY41 1/20 0.34
HDAC6 Q9UBN7 1/20 0.34
LIPG Q9Y5X9 5/20 0.33
LIPC P11150 4/20 0.33
MAPT P10636 3/20 0.33
RAB9A P51151 2/20 0.33
PAX8 Q06710 1/20 0.33
NOD2 Q9HC29 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
FTO Q9C0B1 1/20 0.33

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
SCHEMBL888945 0.88 RAB9A (0.38) LOXL2PIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL12810162 0.85 SMN1; SMN2 (0.44) TRPV1MAPTRAB9ATP53SMN1; SMN2
SCHEMBL888952 0.77 AAK1 (0.52) AAK1LOXL2PIK3CDPIK3CAPIK3CB
SCHEMBL12810257 0.77 AAK1 (0.52) AAK1LOXL2PIK3CDPIK3CAPIK3CB
SCHEMBL12824420 0.76 PGR (0.41) LOXL2PIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL12810095 0.73 SMN1; SMN2 (0.47) PIK3CDPIK3CAPIK3CBPIK3CGMAPT
SCHEMBL888900 0.73 AAK1 (0.46) AAK1LOXL2PIK3CDPIK3CAPIK3CB
SCHEMBL12810070 0.73 AAK1 (0.46) AAK1LIPGMAPTRAB9ACASR
SCHEMBL889391 0.73 RAB9A (0.49) AAK1TRPV1LOXL2HDAC3HDAC1
SCHEMBL890259 0.73 CASR (0.51) AAK1TRPV1LOXL2MAPTRAB9A

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 3453/4885TRPV1 2956/4885LOXL2 4423/4885

“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.