SCHEMBL2193209

SCHEMBL2193209

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

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 5/20 0.43
KDM4E B2RXH2 4/20 0.43
ALDH1A1 P00352 4/20 0.43
GAA P10253 4/20 0.43
HPGD P15428 4/20 0.43
RAB9A P51151 4/20 0.43
KMT2A Q03164 3/20 0.43
TP53 P04637 3/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
MAPT P10636 3/20 0.43
HSD17B10 Q99714 2/20 0.43
MEN1 O00255 2/20 0.43
MAPK1 P28482 2/20 0.43
SMO Q99835 1/20 0.39
HDAC4 P56524 1/20 0.35
ABL1 P00519 2/20 0.34
BCR P11274 2/20 0.34
PSMB8 P28062 1/20 0.34
PRKDC P78527 1/20 0.34
F10 P00742 3/20 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
SCHEMBL13572005 0.92 NPC1 (0.44) NPC1KDM4EALDH1A1GAAHPGD
SCHEMBL2193703 0.90 NPC1 (0.41) NPC1KDM4EALDH1A1GAAHPGD
SCHEMBL2192006 0.89 KMT2A (0.39) NPC1KDM4EALDH1A1GAAHPGD
SCHEMBL2196126 0.88 MEN1 (0.45) NPC1KDM4EALDH1A1GAAHPGD
SCHEMBL2195166 0.88 NPC1 (0.39) NPC1KDM4EALDH1A1GAAHPGD
SCHEMBL2198336 0.87 KMT2A (0.38) NPC1KDM4EALDH1A1GAAHPGD
SCHEMBL2197678 0.86 HPGD (0.43) NPC1KDM4EALDH1A1GAAHPGD
SCHEMBL2196803 0.85 HPGD (0.41) NPC1KDM4EALDH1A1GAAHPGD
SCHEMBL2194961 0.85 ALDH1A1 (0.39) NPC1KDM4EALDH1A1GAAHPGD
SCHEMBL2196752 0.85 ALDH1A1 (0.39) NPC1KDM4EALDH1A1GAAHPGD

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 8 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
US-8735398-B2 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2014-05-27 US disclosed
US-20130085147-A1 Hepatitis C Virus Inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2013-04-04 US disclosed
US-8362020-B2 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2013-01-29 US disclosed
US-20110294819-A1 Hepatitis C Virus Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2011-12-01 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 (2 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 218/4885KDM4E 3330/4885ALDH1A1 3778/4885
US-20130085147-A1 Hepatitis C Virus Inhibitors HAVCR2, MAVS, GTF3C1 NPC1 218/4885KDM4E 3330/4885ALDH1A1 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.