SCHEMBL888912

SCHEMBL888912

CCC(CNc1ncc(-c2ccc3cc(-c4c[nH]c(C5CCCN5C(=O)OC(C)(C)C)n4)ccc3c2)cn1)NC(=O)OC(C)(C)C

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 5/20 0.35
CYP2C9 P11712 4/20 0.35
NR1I2 O75469 2/20 0.35
KCNH2 Q12809 2/20 0.35
ABCB11 O95342 1/20 0.35
OPRK1 P41145 1/20 0.35
GSK3B P49841 3/20 0.34
DYRK1A Q13627 3/20 0.34
WNT1 P04628 2/20 0.34
CYP1A2 P05177 2/20 0.34
ALDH1A1 P00352 1/20 0.34
CYP2D6 P10635 1/20 0.34
CHEK2 O96017 1/20 0.33
PRCP P42785 1/20 0.33
UCHL1 P09936 1/20 0.33
USP30 Q70CQ3 1/20 0.33
KDM4E B2RXH2 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
L3MBTL1 Q9Y468 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
SCHEMBL889126 1.00 CYP3A4 (0.35) CYP3A4CYP2C9NR1I2KCNH2ABCB11
SCHEMBL889000 0.86 USP30 (0.34) GSK3BDYRK1AWNT1ALDH1A1CHEK2
SCHEMBL888977 0.85 PRMT5 (0.43) OPRK1GSK3BDYRK1AWNT1ALDH1A1
SCHEMBL888960 0.82 SYK (0.41) GSK3BDYRK1AWNT1KDM4ENPC1
SCHEMBL888943 0.82 SYK (0.41) GSK3BDYRK1AWNT1KDM4ENPC1
SCHEMBL888919 0.81 CYP3A4 (0.47) CYP3A4CYP2C9NR1I2KCNH2ABCB11
SCHEMBL14924575 0.81 ALDH1A1 (0.43) ALDH1A1CHEK2UCHL1USP30KDM4E
SCHEMBL12104032 0.81 ALDH1A1 (0.43) ALDH1A1CHEK2UCHL1USP30KDM4E
SCHEMBL888980 0.80 USP30 (0.45) USP30
SCHEMBL14924576 0.80 ALDH1A1 (0.41) ALDH1A1CHEK2UCHL1USP30KDM4E

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 CYP3A4 241/4885CYP2C9 394/4885NR1I2 353/4885

“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.