SCHEMBL12333286

SCHEMBL12333286

O=S(=O)(c1ccccc1)c1cc2cc(-c3ccc(-c4cc5cc(S(=O)(=O)c6ccccc6)ncc5s4)s3)sc2cn1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 1/20 0.40
CYP11B1 P15538 1/20 0.39
CYP11B2 P19099 1/20 0.39
PIK3CA P42336 5/20 0.37
PIK3C3 Q8NEB9 1/20 0.37
LOXL2 Q9Y4K0 2/20 0.37
NAMPT P43490 2/20 0.36
HTR6 P50406 1/20 0.35
AKT1 P31749 3/20 0.35
HTT P42858 3/20 0.35
ALDH1A1 P00352 2/20 0.35
LMNA P02545 2/20 0.35
MAPT P10636 2/20 0.35
KDM4E B2RXH2 1/20 0.35
MTOR P42345 1/20 0.34
AKR1B1 P15121 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
CA9 Q16790 1/20 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
SCHEMBL14354273 1.00 AGTR1 (0.40) AGTR1CYP11B1CYP11B2PIK3CAPIK3C3
SCHEMBL14467201 0.92 PIK3CA (0.37) AGTR1CYP11B1CYP11B2PIK3CAPIK3C3
SCHEMBL14467197 0.92 PIK3CA (0.37) AGTR1CYP11B1CYP11B2PIK3CAPIK3C3
SCHEMBL12333391 0.82 CYP11B1 (0.33) AGTR1CYP11B1CYP11B2PIK3CAPIK3C3
SCHEMBL12333120 0.82 HTT (0.40) AGTR1CYP11B1CYP11B2PIK3CAPIK3C3
SCHEMBL29277557 0.77 AGTR1 (0.49) AGTR1CYP11B1CYP11B2PIK3CALOXL2
SCHEMBL12333390 0.75 PIK3CD (0.44) AGTR1CYP11B1CYP11B2PIK3CALOXL2
SCHEMBL29277555 0.70 HTT (0.49) AGTR1CYP11B1CYP11B2HTR6HTT
SCHEMBL29277552 0.70 CYP11B1 (0.47) AGTR1CYP11B1CYP11B2HTR6HTT
SCHEMBL7500750 0.67 AGTR1 (0.46) AGTR1CYP11B1CYP11B2PIK3CAHTR6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2557081-A1 THIENOPYRIDINE DERIVATIVE, METHOD FOR PRODUCING SAME AND ORGANIC SEMICONDUCTOR DEVICE USING SAME Hiroshima University (JP) 2013-02-13 EP disclosed
EP-2557081-A1 THIENOPYRIDINE DERIVATIVE, METHOD FOR PRODUCING SAME AND ORGANIC SEMICONDUCTOR DEVICE USING SAME Hiroshima University (JP) 2013-02-13 EP disclosed
US-20130005979-A1 THIENOPYRIDINE DERIVATIVE, METHOD FOR PRODUCING SAME AND ORGANIC SEMICONDUCTOR DEVICE USING SAME KURARAY CO. LTD. (JP) 2013-01-03 US disclosed
US-20130005979-A1 THIENOPYRIDINE DERIVATIVE, METHOD FOR PRODUCING SAME AND ORGANIC SEMICONDUCTOR DEVICE USING SAME KURARAY CO. LTD. (JP) 2013-01-03 US disclosed
WO-2011115071-A1 THIENOPYRIDINE DERIVATIVE, METHOD FOR PRODUCING SAME AND ORGANIC SEMICONDUCTOR DEVICE USING SAME 国立大学法人広島大学 (JP) 2011-09-22 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-20130005979-A1 THIENOPYRIDINE DERIVATIVE, METHOD FOR PRODUCING SAME AND ORGANIC SEMICONDUCTOR DEVICE USING SAME TPMT, TET1, TYMS AGTR1 3449/4885CYP11B1 2118/4885CYP11B2 2264/4885

“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.