SCHEMBL979540

SCHEMBL979540

COc1ccc2c(C#N)c(C(=O)O)n(C(=O)OC(C)(C)C)c2c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.44
MEN1 O00255 1/20 0.44
LMNA P02545 1/20 0.44
MAPT P10636 1/20 0.44
PABPC1 P11940 1/20 0.44
MAPK1 P28482 1/20 0.44
CASP3 P42574 1/20 0.44
HTT P42858 1/20 0.44
KMT2A Q03164 1/20 0.44
NCOA1 Q15788 1/20 0.44
SENP6 Q9GZR1 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
NCOA3 Q9Y6Q9 1/20 0.44
GRIA2 P42262 2/20 0.39
GRIA4 P48058 2/20 0.39
NR1H2 P55055 3/20 0.36
CNR2 P34972 1/20 0.36
ABCB1 P08183 1/20 0.35
KCNA5 P22460 2/20 0.34

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
SCHEMBL19785404 0.80 ALDH1A1 (0.45) L3MBTL1NR1H2CNR2ABCB1DYRK1A
SCHEMBL12109147 0.78 KDM4E (0.49) KDM4EMEN1LMNAMAPTPABPC1
SCHEMBL980949 0.74 MEN1 (0.43) KDM4EMEN1LMNAMAPTPABPC1
SCHEMBL12407853 0.73 NPC1 (0.46) KDM4EMEN1LMNAMAPTPABPC1
SCHEMBL27664190 0.72 MAOB (0.48) KDM4EMEN1MAPK1KMT2AL3MBTL1
SCHEMBL19785399 0.70 GABRG2 (0.46) NR1H2ABCB1
SCHEMBL6300235 0.69 NR1H2 (0.41) KDM4EMEN1MAPTHTTKMT2A
SCHEMBL31026613 0.69 NR1H2 (0.42) KDM4ELMNAMAPTL3MBTL1NR1H2
SCHEMBL15778086 0.68 L3MBTL1 (0.44) L3MBTL1NR1H2CNR2DYRK1A
SCHEMBL16421934 0.68 DYRK1A (0.61) DYRK1A

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 44 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120009142-A1 METHODS FOR TREATING HEPATITIS C PTC THERAPEUTICS, INC. (US) 2012-01-12 US disclosed
US-20120009142-A1 METHODS FOR TREATING HEPATITIS C PTC THERAPEUTICS, INC. (US) 2012-01-12 US disclosed
US-20120009142-A1 METHODS FOR TREATING HEPATITIS C PTC THERAPEUTICS, INC. (US) 2012-01-12 US disclosed
US-20110268698-A1 METHODS FOR TREATING HEPATITIS C PTC THERAPEUTICS, INC. (US) 2011-11-03 US disclosed
US-20110268698-A1 METHODS FOR TREATING HEPATITIS C PTC THERAPEUTICS, INC. (US) 2011-11-03 US disclosed
US-8013006-B2 Methods for treating hepatitis C PTC THERAPEUTICS, INC. (US) 2011-09-06 US disclosed
US-8013006-B2 Methods for treating hepatitis C PTC THERAPEUTICS, INC. (US) 2011-09-06 US disclosed
US-8013006-B2 Methods for treating hepatitis C PTC THERAPEUTICS, INC. (US) 2011-09-06 US disclosed
US-7973069-B2 Methods for treating hepatitis C PTC THERAPEUTICS, INC. (US) 2011-07-05 US disclosed
US-7973069-B2 Methods for treating hepatitis C PTC THERAPEUTICS, INC. (US) 2011-07-05 US disclosed
US-20070299069-A1 Methods for treating hepatitis C PTC THERAPEUTICS, INC. 2007-12-27 US disclosed
US-20070299069-A1 Methods for treating hepatitis C PTC THERAPEUTICS, INC. 2007-12-27 US disclosed
WO-2007084413-A2 METHODS FOR TREATING HEPATITIS C PTC THERAPEUTICS, INC. (US) 2007-07-26 WO disclosed
WO-2007084413-A2 METHODS FOR TREATING HEPATITIS C PTC THERAPEUTICS, INC. (US) 2007-07-26 WO disclosed
WO-2007084435-A2 METHODS FOR TREATING HEPATITIS C PTC THERAPEUTICS, INC. (US) 2007-07-26 WO disclosed
WO-2007084435-A2 METHODS FOR TREATING HEPATITIS C PTC THERAPEUTICS, INC. (US) 2007-07-26 WO disclosed
EP-1771169-A1 METHODS FOR TREATING HEPATITIS C PTC Therapeutics, Inc. (US) 2007-04-11 EP disclosed
US-20060223863-A1 Methods for treating Hepatitis C KARP GARY M 2006-10-05 US disclosed
US-20060189606-A1 Methods for treating hepatitis C PTC THERAPEUTICS, INC. 2006-08-24 US disclosed
WO-2006019831-A1 METHODS FOR TREATING HEPATITIS C PTC THERAPEUTICS, INC. (US) 2006-02-23 WO 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 (5 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-20110268698-A1 METHODS FOR TREATING HEPATITIS C HAVCR2, LIPC, HCCS KDM4E 3422/4885MEN1 4825/4885LMNA 1241/4885
US-20120009142-A1 METHODS FOR TREATING HEPATITIS C OAT, HAVCR2, HCCS KDM4E 3703/4885MEN1 4815/4885LMNA 3101/4885
US-20060189606-A1 Methods for treating hepatitis C HAVCR2, EIF2AK2, MAVS KDM4E 4020/4885MEN1 4800/4885LMNA 1012/4885
US-20070299069-A1 Methods for treating hepatitis C HAVCR2, EIF2AK2, MAVS KDM4E 4020/4885MEN1 4800/4885LMNA 1012/4885
US-20060223863-A1 Methods for treating Hepatitis C OAT, HAVCR2, HCCS KDM4E 3703/4885MEN1 4815/4885LMNA 3101/4885

“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.