SCHEMBL883239

SCHEMBL883239

CC(C)(C)OC(=O)N1CCC[C@H]1C(=O)NCC(=O)c1ccc(Oc2ccc(C(=O)CNC(=O)[C@@H]3CCCN3C(=O)OC(C)(C)C)cc2)cc1

nearest known ligand 0.59

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.59
ALDH1A1 P00352 1/20 0.56
SMN1; SMN2 Q16637 1/20 0.53
LMNA P02545 1/20 0.52
NPSR1 Q6W5P4 1/20 0.52
KMT2A Q03164 4/20 0.50
MEN1 O00255 3/20 0.50
HRH2 P25021 1/20 0.48
HRH1 P35367 1/20 0.48
SCN5A Q14524 1/20 0.46
SCN3A Q9NY46 1/20 0.46
L3MBTL1 Q9Y468 2/20 0.46
KDM4E B2RXH2 3/20 0.46
RAB9A P51151 1/20 0.46
POLB P06746 2/20 0.46
UCHL1 P09936 1/20 0.45
USP30 Q70CQ3 1/20 0.44
HSD17B10 Q99714 1/20 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
SCHEMBL14845515 0.92 NPC1 (0.60) NPC1ALDH1A1SMN1; SMN2LMNANPSR1
SCHEMBL11910976 0.92 NPC1 (0.60) NPC1ALDH1A1SMN1; SMN2LMNANPSR1
SCHEMBL564702 0.92 NPC1 (0.52) NPC1ALDH1A1SMN1; SMN2LMNANPSR1
SCHEMBL564701 0.92 NPC1 (0.52) NPC1ALDH1A1SMN1; SMN2LMNANPSR1
SCHEMBL19789881 0.91 LMNA (0.60) NPC1ALDH1A1SMN1; SMN2LMNANPSR1
SCHEMBL9611582 0.90 NPC1 (0.58) NPC1ALDH1A1SMN1; SMN2LMNANPSR1
SCHEMBL571211 0.90 NPC1 (0.58) NPC1ALDH1A1SMN1; SMN2LMNANPSR1
SCHEMBL204402 0.90 NPC1 (0.58) NPC1ALDH1A1SMN1; SMN2LMNANPSR1
SCHEMBL883143 0.90 NPC1 (0.58) NPC1ALDH1A1SMN1; SMN2LMNANPSR1
SCHEMBL12547915 0.90 NPC1 (0.58) NPC1ALDH1A1SMN1; SMN2LMNANPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2414350-B1 HEPATITIS C VIRUS INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2014-11-12 EP disclosed
US-8796466-B2 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2014-08-05 US disclosed
WO-2012039717-A1 HEPATITIS C VIRUS INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2012-03-29 WO disclosed
US-20110237636-A1 Hepatitis C Virus Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2011-09-29 US disclosed
US-20110237636-A1 Hepatitis C Virus Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2011-09-29 US disclosed
US-20110077280-A1 Hepatitis C Virus Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2011-03-31 US disclosed
WO-2010117635-A1 HEPATITIS C VIRUS INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2010-10-14 WO 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-20110237636-A1 Hepatitis C Virus Inhibitors HAVCR2, EIF2AK2, MAVS NPC1 191/4885ALDH1A1 2120/4885SMN1; SMN2 4414/4885
US-20110077280-A1 Hepatitis C Virus Inhibitors HAVCR2, EIF2AK2, MAVS NPC1 191/4885ALDH1A1 2120/4885SMN1; SMN2 4414/4885

“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.