SCHEMBL2196126

SCHEMBL2196126

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)c5ccccc5)cc4)o3)cc2)N(C(=O)c2ccccc2)C1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.45
MAPT P10636 3/20 0.45
KMT2A Q03164 3/20 0.45
NPC1 O15118 3/20 0.45
HPGD P15428 3/20 0.45
RAB9A P51151 3/20 0.45
SMN1; SMN2 Q16637 3/20 0.45
KDM4E B2RXH2 2/20 0.45
ALDH1A1 P00352 2/20 0.45
TP53 P04637 2/20 0.45
GAA P10253 2/20 0.45
HSD17B10 Q99714 2/20 0.45
MAPK1 P28482 1/20 0.45
SMO Q99835 1/20 0.42
PABPC1 P11940 1/20 0.40
LMNA P02545 2/20 0.39
CYP1A2 P05177 1/20 0.39
GLA P06280 1/20 0.39
CYP2C9 P11712 1/20 0.39
NFKB1 P19838 1/20 0.39

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
SCHEMBL13572005 0.90 NPC1 (0.44) MEN1MAPTKMT2ANPC1HPGD
SCHEMBL2198061 0.88 SMO (0.41) MEN1MAPTKMT2ANPC1HPGD
SCHEMBL2193209 0.88 NPC1 (0.43) MEN1MAPTKMT2ANPC1HPGD
SCHEMBL2193703 0.87 NPC1 (0.41) MEN1MAPTKMT2ANPC1HPGD
SCHEMBL2196752 0.87 ALDH1A1 (0.39) MEN1MAPTKMT2ANPC1HPGD
SCHEMBL2194961 0.87 ALDH1A1 (0.39) MEN1MAPTKMT2ANPC1HPGD
SCHEMBL2196041 0.86 RAB9A (0.41) MEN1MAPTKMT2ANPC1HPGD
SCHEMBL2192006 0.85 KMT2A (0.39) MEN1MAPTKMT2ANPC1HPGD
SCHEMBL2196803 0.85 HPGD (0.41) MEN1MAPTKMT2ANPC1HPGD
SCHEMBL2195946 0.85 MEN1 (0.50) MEN1MAPTKMT2ANPC1HPGD

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 MEN1 4812/4885MAPT 2725/4885KMT2A 3866/4885

“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.