SCHEMBL19312482

SCHEMBL19312482

COc1nc2cc(S(C)(=O)=O)ccc2[nH]1

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NPBWR1 P48145 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.42
SCD O00767 3/20 0.42
PTGS1 P23219 4/20 0.41
PTGS2 P35354 4/20 0.41
CBFB Q13951 1/20 0.40
BRD4 O60885 1/20 0.39
TEK Q02763 1/20 0.39
TOP2B Q02880 1/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38

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
SCHEMBL19312483 0.85 KDM4C (0.42) NPBWR1SCDCBFBKMT2A
SCHEMBL8501874 0.79 NPBWR1 (0.47) NPBWR1SCDCBFBBRD4MEN1
SCHEMBL10969202 0.78 FABP6 (0.47) NPBWR1SCDCBFBMEN1KMT2A
SCHEMBL8501872 0.78 NPBWR1 (0.46) NPBWR1SCDCBFBMEN1KMT2A
SCHEMBL8498390 0.78 NPBWR1 (0.46) NPBWR1SCDPTGS2CBFBMEN1
SCHEMBL23676506 0.75 KDM4E (0.51) NPBWR1SCDCBFBBRD4MEN1
SCHEMBL16134723 0.75 L3MBTL1 (0.57) NPBWR1SCDCBFBMEN1KMT2A
SCHEMBL31578181 0.75 ALDH1A1 (0.50) SMN1; SMN2MEN1KMT2A
SCHEMBL22531493 0.74 CACNA1H (0.44) NPBWR1SMN1; SMN2SCDCBFBMEN1
SCHEMBL27766822 0.74 ALDH1A1 (0.52) NPBWR1SMN1; SMN2MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170333398-A1 HETEROCYCLIC DERIVATIVE HAVING AMPK-ACTIVATING ACTIVITY SHIONOGI & CO., LTD. (JP) 2017-11-23 US disclosed
US-20170333398-A1 HETEROCYCLIC DERIVATIVE HAVING AMPK-ACTIVATING ACTIVITY SHIONOGI & CO., LTD. (JP) 2017-11-23 US disclosed
EP-3214076-A1 HETEROCYCLIC DERIVATIVE HAVING AMPK ACTIVATING EFFECT Shionogi & Co., Ltd. (JP) 2017-09-06 EP 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-20170333398-A1 HETEROCYCLIC DERIVATIVE HAVING AMPK-ACTIVATING ACTIVITY PRKAR2B, PRKAR2A, PRKAG3 NPBWR1 466/4885SMN1; SMN2 2948/4885SCD 2689/4885

“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.