SCHEMBL14664047

SCHEMBL14664047

CC(C)(C)OC(=O)C1CCC[C@H]1C(=O)Nc1ccc(-c2nnc(-c3ccc(NC(=O)[C@@H]4CCCN4C(=O)OC(C)(C)C)cc3)o2)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 1/20 0.59
▸ KMT2A Q03164 4/20 0.54
▸ MEN1 O00255 3/20 0.54
▸ JAK2 O60674 3/20 0.53
▸ LMNA P02545 2/20 0.48
▸ NPSR1 Q6W5P4 1/20 0.48
▸ USP30 Q70CQ3 2/20 0.47
▸ JAK3 P52333 2/20 0.47
▸ L3MBTL1 Q9Y468 1/20 0.45
▸ UCHL1 P09936 1/20 0.45
▸ PTPN2 P17706 1/20 0.45
▸ PTPN1 P18031 1/20 0.45
▸ PTPN6 P29350 1/20 0.45
▸ HDAC8 Q9BY41 1/20 0.42
▸ ALDH1A1 P00352 3/20 0.42
▸ MAPK1 P28482 1/20 0.42
▸ HTT P42858 1/20 0.42
▸ SIRT2 Q8IXJ6 1/20 0.42
▸ SMN1; SMN2 Q16637 2/20 0.41
▸ PABPC1 P11940 1/20 0.41

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
SCHEMBL14827625 0.92 NPC1 (0.69) NPC1KMT2AMEN1JAK2LMNA
SCHEMBL12487592 0.88 NPC1 (0.64) NPC1KMT2AMEN1JAK2LMNA
SCHEMBL17474759 0.82 NPC1 (0.80) NPC1KMT2AMEN1JAK2LMNA
SCHEMBL17474788 0.82 NPC1 (0.80) NPC1KMT2AMEN1JAK2LMNA
SCHEMBL12488603 0.81 NPC1 (0.72) NPC1KMT2AMEN1JAK2LMNA
SCHEMBL12489106 0.80 NPC1 (0.63) NPC1KMT2AMEN1JAK2LMNA
SCHEMBL17474789 0.79 NPC1 (0.75) NPC1KMT2AMEN1JAK2LMNA
SCHEMBL17474785 0.79 NPC1 (0.75) NPC1KMT2AMEN1JAK2LMNA
SCHEMBL24732218 0.78 NPC1 (0.60) NPC1KMT2AMEN1JAK2LMNA
SCHEMBL10222657 0.78 NPC1 (0.60) NPC1KMT2AMEN1JAK2LMNA

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 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
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 (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 218/4885KMT2A 3866/4885MEN1 4812/4885

“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.

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