SCHEMBL13572005

SCHEMBL13572005

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

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.44
HPGD P15428 4/20 0.44
RAB9A P51151 4/20 0.44
KMT2A Q03164 4/20 0.44
KDM4E B2RXH2 3/20 0.44
ALDH1A1 P00352 3/20 0.44
GAA P10253 3/20 0.44
SMN1; SMN2 Q16637 3/20 0.44
MEN1 O00255 3/20 0.44
MAPT P10636 3/20 0.44
TP53 P04637 2/20 0.44
HSD17B10 Q99714 2/20 0.44
MAPK1 P28482 1/20 0.44
SMO Q99835 1/20 0.41
HDAC4 P56524 1/20 0.38
LMNA P02545 1/20 0.36
CYP1A2 P05177 1/20 0.36
GLA P06280 1/20 0.36
CYP2C9 P11712 1/20 0.36
NFKB1 P19838 1/20 0.36

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
SCHEMBL2193209 0.92 NPC1 (0.43) NPC1HPGDRAB9AKMT2AKDM4E
SCHEMBL14647982 0.91 NPC1 (0.42) NPC1HPGDRAB9AKMT2AKDM4E
SCHEMBL2193703 0.91 NPC1 (0.41) NPC1HPGDRAB9AKMT2AKDM4E
SCHEMBL2196126 0.90 MEN1 (0.45) NPC1HPGDRAB9AKMT2AKDM4E
SCHEMBL2192006 0.89 KMT2A (0.39) NPC1HPGDRAB9AKMT2AKDM4E
SCHEMBL2195166 0.89 NPC1 (0.39) NPC1HPGDRAB9AKMT2AKDM4E
SCHEMBL2198336 0.88 KMT2A (0.38) NPC1HPGDRAB9AKMT2AKDM4E
SCHEMBL2197678 0.86 HPGD (0.43) NPC1HPGDRAB9AKMT2AKDM4E
SCHEMBL2196041 0.86 RAB9A (0.41) NPC1HPGDRAB9AKMT2AKDM4E
SCHEMBL2194961 0.86 ALDH1A1 (0.39) NPC1HPGDRAB9AKMT2AKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

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 NPC1 218/4885HPGD 3682/4885RAB9A 1449/4885

“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.