SCHEMBL2196606

SCHEMBL2196606

Cc1cc(CC(=O)N2C[C@H](OC(C)(C)C)C[C@H]2C(=O)Nc2ccc(-c3cnc(-c4ccc(NC(=O)[C@@H]5C[C@@H](OC(C)(C)C)CN5C(=O)Cc5cc(C)no5)cc4)o3)cc2)on1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
VHL P40337 5/20 0.47
ELOC Q15369 3/20 0.47
ELOB Q15370 3/20 0.47
KDM4E B2RXH2 1/20 0.35
MEN1 O00255 1/20 0.35
NPC1 O15118 1/20 0.35
ALDH1A1 P00352 1/20 0.35
TP53 P04637 1/20 0.35
GAA P10253 1/20 0.35
MAPT P10636 1/20 0.35
HPGD P15428 1/20 0.35
MAPK1 P28482 1/20 0.35
RAB9A P51151 1/20 0.35
KMT2A Q03164 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
HSD17B10 Q99714 1/20 0.35
ABL1 P00519 2/20 0.33
BCR P11274 2/20 0.33
SMO Q99835 1/20 0.33
HDAC1 Q13547 1/20 0.32

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
SCHEMBL14648082 0.88 VHL (0.61) VHLELOCELOBKDM4EMEN1
SCHEMBL2197638 0.85 KMT2A (0.37) VHLELOCELOBKDM4EMEN1
SCHEMBL2198336 0.84 KMT2A (0.38) KDM4EMEN1NPC1ALDH1A1TP53
SCHEMBL13572005 0.84 NPC1 (0.44) KDM4EMEN1NPC1ALDH1A1TP53
SCHEMBL2196803 0.84 HPGD (0.41) KDM4EMEN1NPC1ALDH1A1TP53
SCHEMBL2193209 0.83 NPC1 (0.43) KDM4EMEN1NPC1ALDH1A1TP53
SCHEMBL2197099 0.82 RXFP3 (0.38) KDM4EMEN1NPC1ALDH1A1TP53
SCHEMBL2193703 0.82 NPC1 (0.41) KDM4EMEN1NPC1ALDH1A1TP53
SCHEMBL2189852 0.82 MAPT (0.39) KDM4EMEN1NPC1ALDH1A1TP53
SCHEMBL2193740 0.81 ALDH1A1 (0.36) KDM4EMEN1NPC1ALDH1A1TP53

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 VHL 2833/4885ELOC 398/4885ELOB 977/4885
US-20130085147-A1 Hepatitis C Virus Inhibitors HAVCR2, MAVS, GTF3C1 VHL 2833/4885ELOC 398/4885ELOB 977/4885

“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.