SCHEMBL2196752

SCHEMBL2196752

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)c5cccs5)cc4)o3)cc2)N(C(=O)c2cccs2)C1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.39
HPGD P15428 4/20 0.39
KDM4E B2RXH2 3/20 0.39
KMT2A Q03164 3/20 0.39
MAPT P10636 2/20 0.39
MEN1 O00255 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
NPC1 O15118 1/20 0.39
TP53 P04637 1/20 0.39
GAA P10253 1/20 0.39
MAPK1 P28482 1/20 0.39
RAB9A P51151 1/20 0.39
HSD17B10 Q99714 1/20 0.39
CYP3A4 P08684 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
ABL1 P00519 1/20 0.36
RIN1 Q13671 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
SMO Q99835 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
SCHEMBL2196126 0.87 MEN1 (0.45) ALDH1A1HPGDKDM4EKMT2AMAPT
SCHEMBL2193497 0.86 ALDH1A1 (0.43) ALDH1A1HPGDKDM4EKMT2AMAPT
SCHEMBL13572005 0.86 NPC1 (0.44) ALDH1A1HPGDKDM4EKMT2AMAPT
SCHEMBL2193209 0.85 NPC1 (0.43) ALDH1A1HPGDKDM4EKMT2AMAPT
SCHEMBL2193703 0.84 NPC1 (0.41) ALDH1A1HPGDKDM4EKMT2AMAPT
SCHEMBL2194961 0.84 ALDH1A1 (0.39) ALDH1A1HPGDKDM4EKMT2AMAPT
SCHEMBL2198061 0.83 SMO (0.41) ALDH1A1HPGDKDM4EKMT2AMAPT
SCHEMBL2192006 0.83 KMT2A (0.39) ALDH1A1HPGDKDM4EKMT2AMAPT
SCHEMBL2195166 0.82 NPC1 (0.39) ALDH1A1HPGDKDM4EKMT2AMAPT
SCHEMBL2193740 0.82 ALDH1A1 (0.36) ALDH1A1HPGDKDM4EKMT2AMAPT

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 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

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 ALDH1A1 3778/4885HPGD 3682/4885KDM4E 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.