SCHEMBL3187751

SCHEMBL3187751

CCc1c(C)nc2sc(C(=O)OC(C)(C)C)c(-c3ccc(OC)cc3)c2c1C

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.48
ABCG2 Q9UNQ0 4/20 0.47
ALDH1A1 P00352 5/20 0.45
HPGD P15428 5/20 0.45
KDM4E B2RXH2 4/20 0.43
HTT P42858 1/20 0.43
GAA P10253 2/20 0.43
POLB P06746 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.42
CYP2C9 P11712 2/20 0.41
CYP2C19 P33261 2/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
STAT1 P42224 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
CHRM4 P08173 1/20 0.40
LHCGR P22888 1/20 0.40

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
SCHEMBL13392932 0.90 CHRM4 (0.40) MAPTALDH1A1KDM4EHTTGAA
SCHEMBL13392934 0.84 EEF2K (0.36) MAPTABCG2ALDH1A1HPGDKDM4E
SCHEMBL13392933 0.82 TRPM8 (0.42) MAPTALDH1A1HPGDKDM4EHTT
SCHEMBL13392926 0.82 CHRM4 (0.42) ALDH1A1HPGDKDM4ESMN1; SMN2CHRM4
SCHEMBL13410063 0.80 LHCGR (0.38) MAPTABCG2ALDH1A1KDM4EHTT
SCHEMBL13392928 0.80 FNTA (0.44) MAPTALDH1A1KDM4EHTTGAA
SCHEMBL13392925 0.79 PIM1 (0.47) MAPTABCG2ALDH1A1HPGDKDM4E
SCHEMBL13392937 0.79 CHRM4 (0.57) MAPTALDH1A1HPGDKDM4EHTT
SCHEMBL3176192 0.78 ALDH1A1 (0.51) MAPTALDH1A1HPGDKDM4EHTT
SCHEMBL3176278 0.78 MAPT (0.37) MAPTALDH1A1HPGDKDM4EHTT

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 MAPT 4291/4885ABCG2 3846/4885ALDH1A1 539/4885
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 MAPT 3978/4885ABCG2 4717/4885ALDH1A1 830/4885

“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.