SCHEMBL2196803

SCHEMBL2196803

CC(C)(C)O[C@@H]1C[C@@H](C(=O)Nc2ccc(-c3cnc(-c4ccc(NC(=O)[C@@H]5C[C@@H](OC(C)(C)C)CN5C(=O)Cc5ccccn5)cc4)o3)cc2)N(C(=O)Cc2ccccn2)C1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.41
KDM4E B2RXH2 2/20 0.41
NPC1 O15118 2/20 0.41
ALDH1A1 P00352 2/20 0.41
TP53 P04637 2/20 0.41
GAA P10253 2/20 0.41
RAB9A P51151 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
HSD17B10 Q99714 2/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
MAPT P10636 1/20 0.41
MAPK1 P28482 1/20 0.41
SMO Q99835 1/20 0.38
EPHX2 P34913 2/20 0.36
S1PR1 P21453 5/20 0.35
CYP2C9 P11712 3/20 0.35
CYP3A4 P08684 2/20 0.35
CYP2D6 P10635 2/20 0.35
HDAC4 P56524 1/20 0.35

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
SCHEMBL2194228 0.88 MEN1 (0.43) HPGDKDM4ENPC1ALDH1A1TP53
SCHEMBL2197099 0.88 RXFP3 (0.38) HPGDKDM4ENPC1ALDH1A1TP53
SCHEMBL2198336 0.86 KMT2A (0.38) HPGDKDM4ENPC1ALDH1A1TP53
SCHEMBL13572005 0.86 NPC1 (0.44) HPGDKDM4ENPC1ALDH1A1TP53
SCHEMBL2197638 0.85 KMT2A (0.37) HPGDKDM4ENPC1ALDH1A1TP53
SCHEMBL2196126 0.85 MEN1 (0.45) HPGDKDM4ENPC1ALDH1A1TP53
SCHEMBL2193209 0.85 NPC1 (0.43) HPGDKDM4ENPC1ALDH1A1TP53
SCHEMBL2193703 0.84 NPC1 (0.41) HPGDKDM4ENPC1ALDH1A1TP53
SCHEMBL2189852 0.84 MAPT (0.39) HPGDKDM4ENPC1ALDH1A1TP53
SCHEMBL2196606 0.84 VHL (0.47) HPGDKDM4ENPC1ALDH1A1TP53

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 HPGD 3682/4885KDM4E 3330/4885NPC1 218/4885

“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.