SCHEMBL12680084

SCHEMBL12680084

CC(C)C[C@H](N)C(=O)Nc1csc(-c2ccc(C(C)C)nc2)n1

nearest known ligand 0.46

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ AAK1 Q2M2I8 8/20 0.46
▸ CIT O14578 9/20 0.44
▸ PIK3CD O00329 1/20 0.38
▸ PIK3CA P42336 1/20 0.38
▸ PIK3CB P42338 1/20 0.38
▸ PIK3CG P48736 1/20 0.38
▸ CTSK P43235 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
SCHEMBL12680127 0.92 AAK1 (0.40) AAK1CITCTSK
SCHEMBL12681452 0.91 GPR142 (0.38) AAK1CIT
SCHEMBL12680123 0.91 GPR142 (0.38) AAK1CIT
SCHEMBL12680114 0.90 HDAC2 (0.38) AAK1PIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL12680126 0.90 SCN9A (0.38) AAK1CITPIK3CDPIK3CAPIK3CB
SCHEMBL12680130 0.88 TRPA1 (0.37) —
SCHEMBL12680115 0.88 TRPA1 (0.38) —
SCHEMBL12681422 0.88 AAK1 (0.47) AAK1CITPIK3CDPIK3CAPIK3CB
SCHEMBL20390891 0.88 AAK1 (0.47) AAK1CITPIK3CDPIK3CAPIK3CB
SCHEMBL12680085 0.88 XIAP (0.41) —

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140187780-A1 6,11-BRIDGED BIARYL MACROLIDES ENANTA PHARMACEUTICALS, INC. (US) 2014-07-03 — — US disclosed
US-20130165641-A1 6,11-BRIDGED BIARYL MACROLIDES ENANTA PHARMACEUTICALS, INC. (US) 2013-06-27 — — US disclosed
US-8354383-B2 6,11-bridged biaryl macrolides ENANTA PHARMACEUTICALS, INC. (US) 2013-01-15 — — US disclosed
US-8273720-B2 6,11-bicyclolides: bridged biaryl macrolide derivatives ENANTA PHARMACEUTICALS, INC. (US) 2012-09-25 — — US disclosed
US-8273720-B2 6,11-bicyclolides: bridged biaryl macrolide derivatives ENANTA PHARMACEUTICALS, INC. (US) 2012-09-25 — — US disclosed
US-20090270457-A1 6,11-BICYCLOLIDES: BRIDGED BIARYL MACROLIDE DERIVATIVES ENANTA PHARMACEUTICALS, INC. 2009-10-29 — — US disclosed
US-20090270457-A1 6,11-BICYCLOLIDES: BRIDGED BIARYL MACROLIDE DERIVATIVES ENANTA PHARMACEUTICALS, INC. 2009-10-29 — — US disclosed
US-20090264380-A1 6,11-BRIDGED BIARYL MACROLIDES ENANTA PHARMACEUTICALS, INC. 2009-10-22 — — US disclosed
US-20090118506-A1 6,11-BRIDGED BIARYL MACROLIDES ENANTA PHARMACEUTICALS, INC. 2009-05-07 — — US disclosed
US-20090118506-A1 6,11-BRIDGED BIARYL MACROLIDES ENANTA PHARMACEUTICALS, INC. 2009-05-07 — — US disclosed
US-20090075915-A1 6,11-BICYCLOLIDES: BRIDGED BIARYL MACROLIDE DERIVATIVES ENANTA PHARMACEUTICALS, INC. 2009-03-19 — — US disclosed
US-20090075915-A1 6,11-BICYCLOLIDES: BRIDGED BIARYL MACROLIDE DERIVATIVES ENANTA PHARMACEUTICALS, INC. 2009-03-19 — — 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 (6 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-20090075915-A1 6,11-BICYCLOLIDES: BRIDGED BIARYL MACROLIDE DERIVATIVES CYP2B6, ABCB11, CYP2D6 AAK1 4249/4885CIT 1272/4885PIK3CD 586/4885
US-20090270457-A1 6,11-BICYCLOLIDES: BRIDGED BIARYL MACROLIDE DERIVATIVES CYP2B6, ABCB11, CYP2D6 AAK1 4249/4885CIT 1272/4885PIK3CD 586/4885
US-20130165641-A1 6,11-BRIDGED BIARYL MACROLIDES CYP2B6, CYP2D6, ABCB11 AAK1 4748/4885CIT 2150/4885PIK3CD 1405/4885
US-20140187780-A1 6,11-BRIDGED BIARYL MACROLIDES CYP2B6, CYP2D6, ABCB11 AAK1 4748/4885CIT 2150/4885PIK3CD 1405/4885
US-20090118506-A1 6,11-BRIDGED BIARYL MACROLIDES CYP2B6, CYP2D6, ABCB11 AAK1 4685/4885CIT 2434/4885PIK3CD 1126/4885
US-20090264380-A1 6,11-BRIDGED BIARYL MACROLIDES CYP2B6, CYP2D6, ABCB11 AAK1 4748/4885CIT 2150/4885PIK3CD 1405/4885

“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.

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