SCHEMBL2193740

SCHEMBL2193740

Cc1noc(C)c1C(=O)N1C[C@H](OC(C)(C)C)C[C@H]1C(=O)Nc1ccc(-c2cnc(-c3ccc(NC(=O)[C@@H]4C[C@@H](OC(C)(C)C)CN4C(=O)c4c(C)noc4C)cc3)o2)cc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
KDM4E B2RXH2 1/20 0.36
MEN1 O00255 1/20 0.36
NPC1 O15118 1/20 0.36
TP53 P04637 1/20 0.36
GAA P10253 1/20 0.36
MAPT P10636 1/20 0.36
HPGD P15428 1/20 0.36
MAPK1 P28482 1/20 0.36
RAB9A P51151 1/20 0.36
KMT2A Q03164 1/20 0.36
HSD17B10 Q99714 1/20 0.36
TSHR P16473 1/20 0.35
CYP2C19 P33261 1/20 0.35
SMO Q99835 1/20 0.34
GFER P55789 3/20 0.34
NAMPT P43490 1/20 0.34
CYP3A4 P08684 3/20 0.33
CYP2D6 P10635 2/20 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
SCHEMBL13570437 0.87 ALDH1A1 (0.41) ALDH1A1SMN1; SMN2KDM4EMEN1NPC1
SCHEMBL13572005 0.85 NPC1 (0.44) ALDH1A1SMN1; SMN2KDM4EMEN1NPC1
SCHEMBL2196126 0.85 MEN1 (0.45) ALDH1A1SMN1; SMN2KDM4EMEN1NPC1
SCHEMBL2193209 0.84 NPC1 (0.43) ALDH1A1SMN1; SMN2KDM4EMEN1NPC1
SCHEMBL2193703 0.83 NPC1 (0.41) ALDH1A1SMN1; SMN2KDM4EMEN1NPC1
SCHEMBL2192006 0.82 KMT2A (0.39) ALDH1A1SMN1; SMN2KDM4EMEN1NPC1
SCHEMBL2194961 0.82 ALDH1A1 (0.39) ALDH1A1SMN1; SMN2KDM4EMEN1NPC1
SCHEMBL2196752 0.82 ALDH1A1 (0.39) ALDH1A1SMN1; SMN2KDM4EMEN1NPC1
SCHEMBL2196606 0.81 VHL (0.47) ALDH1A1SMN1; SMN2KDM4EMEN1NPC1
SCHEMBL2195166 0.81 NPC1 (0.39) ALDH1A1SMN1; SMN2KDM4EMEN1NPC1

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 ALDH1A1 3778/4885SMN1; SMN2 4709/4885KDM4E 3330/4885
US-20130085147-A1 Hepatitis C Virus Inhibitors HAVCR2, MAVS, GTF3C1 ALDH1A1 3778/4885SMN1; SMN2 4709/4885KDM4E 3330/4885

“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.