SCHEMBL12333390

SCHEMBL12333390

O=S(=O)(c1ccccc1)c1cc2ccsc2cn1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 1/20 0.44
CA12 O43570 1/20 0.43
CA2 P00918 1/20 0.43
AGTR1 P30556 1/20 0.42
CYP11B1 P15538 1/20 0.41
CYP11B2 P19099 1/20 0.41
NPSR1 Q6W5P4 1/20 0.39
HTR6 P50406 1/20 0.38
POLB P06746 1/20 0.37
AKT1 P31749 3/20 0.37
PIK3CA P42336 3/20 0.37
HTT P42858 3/20 0.37
ALDH1A1 P00352 2/20 0.37
LMNA P02545 2/20 0.37
MAPT P10636 2/20 0.37
KDM4E B2RXH2 1/20 0.37
AKR1B1 P15121 1/20 0.36
MTOR P42345 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
LOXL2 Q9Y4K0 1/20 0.36

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
SCHEMBL29277557 0.77 AGTR1 (0.49) AGTR1CYP11B1CYP11B2HTR6POLB
SCHEMBL12333120 0.77 HTT (0.40) AGTR1CYP11B1CYP11B2HTR6AKT1
SCHEMBL12333286 0.75 AGTR1 (0.40) CA2AGTR1CYP11B1CYP11B2HTR6
SCHEMBL14354273 0.75 AGTR1 (0.40) CA2AGTR1CYP11B1CYP11B2HTR6
SCHEMBL19476173 0.74 CA12 (0.54) PIK3CDCA12CA2NPSR1HTR6
SCHEMBL29277555 0.70 HTT (0.49) AGTR1CYP11B1CYP11B2NPSR1HTR6
SCHEMBL7500750 0.70 AGTR1 (0.46) PIK3CDCA12CA2AGTR1CYP11B1
SCHEMBL29277552 0.70 CYP11B1 (0.47) AGTR1CYP11B1CYP11B2HTR6HTT
SCHEMBL14467197 0.69 PIK3CA (0.37) AGTR1CYP11B1CYP11B2NPSR1HTR6
SCHEMBL25187319 0.67 ALDH1A1 (0.47) PIK3CDAGTR1CYP11B1CYP11B2HTR6

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
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
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 PIK3CD 800/4885CA12 4592/4885CA2 2122/4885

“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.