SCHEMBL3177645

SCHEMBL3177645

Cc1nc2sc(C(=O)OC(C)(C)C)c(N)c2c(C)c1OC(=O)N1CCCC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 8/20 0.44
ALDH1A1 P00352 7/20 0.44
RAB9A P51151 1/20 0.44
CACNA1B Q00975 1/20 0.44
APBA1 Q02410 1/20 0.44
KMT2A Q03164 1/20 0.44
HPGD P15428 5/20 0.41
MAPT P10636 5/20 0.41
HTT P42858 2/20 0.41
HSD17B10 Q99714 2/20 0.41
CHRM4 P08173 7/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
GAA P10253 2/20 0.39
POLB P06746 1/20 0.39
PIM1 P11309 1/20 0.38
LHCGR P22888 1/20 0.38
ATM Q13315 2/20 0.38
NPC1 O15118 1/20 0.38
CHRM2 P08172 2/20 0.37
CHRM1 P11229 1/20 0.37

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
SCHEMBL13393015 0.91 ALDH1A1 (0.42) KDM4EALDH1A1RAB9ACACNA1BAPBA1
SCHEMBL3181326 0.84 KDM4E (0.50) KDM4EALDH1A1RAB9ACACNA1BAPBA1
SCHEMBL13393008 0.81 CASP7 (0.45) KDM4EALDH1A1RAB9ACACNA1BAPBA1
SCHEMBL13393004 0.77 CASP7 (0.45) KDM4EALDH1A1RAB9ACACNA1BAPBA1
SCHEMBL3187779 0.77 KDM4E (0.54) KDM4EALDH1A1RAB9ACACNA1BAPBA1
SCHEMBL3171743 0.76 KDM4E (0.46) KDM4EALDH1A1RAB9ACACNA1BAPBA1
SCHEMBL13393010 0.76 CASP7 (0.46) KDM4EALDH1A1RAB9ACACNA1BAPBA1
SCHEMBL13392993 0.76 CASP7 (0.42) KDM4EALDH1A1RAB9ACACNA1BAPBA1
SCHEMBL3179853 0.75 CASP7 (0.56) KDM4EALDH1A1RAB9ACACNA1BAPBA1
SCHEMBL13393003 0.74 KDM4E (0.45) KDM4EALDH1A1RAB9ACACNA1BAPBA1

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-20100099672-A1 METHODS FOR TREATING HEPATITIS C PTC THERAPEUTICS, INC. (US) 2010-04-22 US disclosed
US-20100099672-A1 METHODS FOR TREATING HEPATITIS C PTC THERAPEUTICS, INC. (US) 2010-04-22 US disclosed
US-20100099672-A1 METHODS FOR TREATING HEPATITIS C PTC THERAPEUTICS, INC. (US) 2010-04-22 US disclosed
US-7645881-B2 Such as tert-Butyl 3-amino-5-ethyl-4,6-dimethylthieno[2,3-B]pyridine-2-carboxylate which inhibits replication PTC THERAPEUTICS, INC. (US) 2010-01-12 US disclosed
US-7645881-B2 Such as tert-Butyl 3-amino-5-ethyl-4,6-dimethylthieno[2,3-B]pyridine-2-carboxylate which inhibits replication PTC THERAPEUTICS, INC. (US) 2010-01-12 US disclosed
EP-1781289-A1 THIENOPYRIDINES FOR TREATING HEPATITIS C PTC Therapeutics, Inc. (US) 2007-05-09 EP disclosed
WO-2006019832-A1 THIENOPYRIDINES FOR TREATING HEPATITIS C PTC THERAPEUTICS, INC. (US) 2006-02-23 WO disclosed
US-20060019976-A1 Such as tert-Butyl 3-amino-5-ethyl-4,6-dimethylthieno[2,3-B]pyridine-2-carboxylate which inhibits replication PTC THERAPEUTICS, INC. 2006-01-26 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-20100099672-A1 METHODS FOR TREATING HEPATITIS C OAT, HAVCR2, HCCS KDM4E 3760/4885ALDH1A1 539/4885RAB9A 3935/4885
US-20060019976-A1 Such as tert-Butyl 3-amino-5-ethyl-4,6-dimethylthieno[2,3-B]pyridine-2-carboxylate which inhibits replication DIMT1, EIF2AK2, ELL KDM4E 146/4885ALDH1A1 830/4885RAB9A 3380/4885

“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.