SCHEMBL2656296

SCHEMBL2656296

CCOC(=O)c1ccc(SC)cn1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.49
GABRA1 P14867 7/20 0.46
GABRG2 P18507 7/20 0.46
GABRB3 P28472 7/20 0.46
GABRA5 P31644 7/20 0.46
GABRA3 P34903 7/20 0.46
GABRA2 P47869 7/20 0.46
GABRA4 P48169 7/20 0.46
GABRA6 Q16445 7/20 0.46
GABRP O00591 6/20 0.46
GABRD O14764 6/20 0.46
GABRB1 P18505 6/20 0.46
GABRB2 P47870 6/20 0.46
GABRE P78334 6/20 0.46
GABRG1 Q8N1C3 6/20 0.46
GABRG3 Q99928 6/20 0.46
GABRQ Q9UN88 6/20 0.46
ALDH1A1 P00352 6/20 0.44
POLB P06746 3/20 0.44
TDP1 Q9NUW8 1/20 0.44

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
SCHEMBL13341653 0.84 ALDH1A1 (0.44) CYP1A2GABRA1GABRG2GABRB3GABRA5
SCHEMBL29694969 0.81 MAPK1 (0.61) CYP1A2GABRA1GABRG2GABRB3GABRA5
SCHEMBL5211462 0.81 MAPK1 (0.61) CYP1A2GABRA1GABRG2GABRB3GABRA5
SCHEMBL31172628 0.80 CYP1A2 (0.55) CYP1A2GABRA1GABRG2GABRB3GABRA5
SCHEMBL82426 0.80 CYP1A2 (0.55) CYP1A2GABRA1GABRG2GABRB3GABRA5
SCHEMBL3608608 0.78 ADORA3 (0.40) CYP1A2ALDH1A1POLBTDP1MAPT
SCHEMBL29637478 0.78 MAPK1 (0.61) CYP1A2GABRA1GABRG2GABRB3GABRA5
SCHEMBL10003611 0.78 CYP1A2 (0.53) CYP1A2GABRA1GABRG2GABRB3GABRA5
SCHEMBL229176 0.78 CA12 (0.55) CYP1A2GABRA1GABRG2GABRB3GABRA5
SCHEMBL1971939 0.78 MAPK1 (0.61) CYP1A2GABRA1GABRG2GABRB3GABRA5

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110301155-A1 INDAZOLE COMPOUNDS FOR ACTIVATING GLUCOKINASE TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-12-08 US disclosed
US-20110301155-A1 INDAZOLE COMPOUNDS FOR ACTIVATING GLUCOKINASE TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-12-08 US disclosed
US-20110301155-A1 INDAZOLE COMPOUNDS FOR ACTIVATING GLUCOKINASE TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-12-08 US disclosed
EP-2157859-A1 INDAZOLE COMPOUNDS FOR ACTIVATING GLUCOKINASE Takeda Pharmaceutical Company Limited (JP) 2010-03-03 EP disclosed
WO-2008156757-A1 INDAZOLE COMPOUNDS FOR ACTIVATING GLUCOKINASE TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-12-24 WO disclosed
WO-2008156757-A1 INDAZOLE COMPOUNDS FOR ACTIVATING GLUCOKINASE TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-12-24 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 (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-20110301155-A1 INDAZOLE COMPOUNDS FOR ACTIVATING GLUCOKINASE GCKR, GCK, KHK CYP1A2 1710/4885GABRA1 2462/4885GABRG2 2542/4885

“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.