SCHEMBL2196365

SCHEMBL2196365

CC[C@@H](C(=O)N1CCC[C@H]1C(=O)Nc1ccc(-c2cnc(-c3ccc(NC(=O)[C@@H]4CCCN4C(=O)[C@H](CC)c4ccccc4)cc3)o2)cc1)c1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 1/20 0.52
PABPC1 P11940 1/20 0.45
ALDH1A1 P00352 4/20 0.45
KDM4E B2RXH2 2/20 0.45
GAA P10253 2/20 0.45
MAPK1 P28482 2/20 0.45
MEN1 O00255 1/20 0.45
NPC1 O15118 1/20 0.45
TP53 P04637 1/20 0.45
MAPT P10636 1/20 0.45
HPGD P15428 1/20 0.45
RAB9A P51151 1/20 0.45
KMT2A Q03164 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
HSD17B10 Q99714 1/20 0.45
LMNA P02545 1/20 0.43
CYP2C9 P11712 6/20 0.43
CYP2C19 P33261 6/20 0.43
CYP3A4 P08684 5/20 0.43
CYP2D6 P10635 2/20 0.43

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
SCHEMBL2198301 0.88 KCNH2 (0.53) KCNH2PABPC1ALDH1A1KDM4EGAA
SCHEMBL2195345 0.88 KCNH2 (0.53) KCNH2PABPC1ALDH1A1KDM4EGAA
SCHEMBL2194642 0.86 KCNH2 (0.52) KCNH2PABPC1ALDH1A1KDM4EGAA
SCHEMBL2197138 0.86 KCNH2 (0.56) KCNH2PABPC1ALDH1A1KDM4EGAA
SCHEMBL2197078 0.86 KCNH2 (0.56) KCNH2PABPC1ALDH1A1KDM4EGAA
SCHEMBL16495777 0.86 KCNH2 (0.52) KCNH2PABPC1ALDH1A1KDM4EGAA
SCHEMBL2194641 0.86 KCNH2 (0.52) KCNH2PABPC1ALDH1A1KDM4EGAA
SCHEMBL2197637 0.86 KCNH2 (0.63) KCNH2PABPC1ALDH1A1KDM4EGAA
SCHEMBL12490151 0.85 KCNH2 (0.53) KCNH2PABPC1ALDH1A1KDM4EGAA
SCHEMBL12488524 0.85 KCNH2 (0.53) KCNH2PABPC1ALDH1A1KDM4EGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8362020-B2 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2013-01-29 US claimed
EP-2519506-A1 HEPATITIS C VIRUS INHIBITORS Bristol-Myers Squibb Company (US) 2012-11-07 EP claimed
US-20110294819-A1 Hepatitis C Virus Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2011-12-01 US claimed
WO-2011082077-A1 HEPATITIS C VIRUS INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2011-07-07 WO claimed

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-20110294819-A1 Hepatitis C Virus Inhibitors HAVCR2, MAVS, GTF3C1 KCNH2 4617/4885PABPC1 235/4885ALDH1A1 3778/4885

“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.