SCHEMBL2198336

SCHEMBL2198336

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)CC5CC5)cc4)o3)cc2)N(C(=O)CC2CC2)C1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.38
NPC1 O15118 2/20 0.38
KDM4E B2RXH2 1/20 0.38
MEN1 O00255 1/20 0.38
ALDH1A1 P00352 1/20 0.38
TP53 P04637 1/20 0.38
GAA P10253 1/20 0.38
MAPT P10636 1/20 0.38
HPGD P15428 1/20 0.38
MAPK1 P28482 1/20 0.38
RAB9A P51151 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
HSD17B10 Q99714 1/20 0.38
SMO Q99835 1/20 0.36
S1PR1 P21453 4/20 0.34
CYP2C9 P11712 3/20 0.34
CNR1 P21554 1/20 0.33
CNR2 P34972 1/20 0.33
HDAC4 P56524 1/20 0.33
PTPN2 P17706 1/20 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
SCHEMBL2193703 0.88 NPC1 (0.41) KMT2ANPC1KDM4EMEN1ALDH1A1
SCHEMBL13572005 0.88 NPC1 (0.44) KMT2ANPC1KDM4EMEN1ALDH1A1
SCHEMBL2193209 0.87 NPC1 (0.43) KMT2ANPC1KDM4EMEN1ALDH1A1
SCHEMBL2192006 0.86 KMT2A (0.39) KMT2ANPC1KDM4EMEN1ALDH1A1
SCHEMBL2196803 0.86 HPGD (0.41) KMT2ANPC1KDM4EMEN1ALDH1A1
SCHEMBL2195166 0.86 NPC1 (0.39) KMT2ANPC1KDM4EMEN1ALDH1A1
SCHEMBL2193243 0.85 KMT2A (0.42) KMT2ANPC1KDM4EMEN1ALDH1A1
SCHEMBL2197099 0.85 RXFP3 (0.38) KMT2ANPC1KDM4EMEN1ALDH1A1
SCHEMBL2197638 0.84 KMT2A (0.37) KMT2ANPC1KDM4EMEN1ALDH1A1
SCHEMBL2196606 0.84 VHL (0.47) KMT2ANPC1KDM4EMEN1ALDH1A1

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 KMT2A 3866/4885NPC1 218/4885KDM4E 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.