SCHEMBL1609893

SCHEMBL1609893

COC(=O)c1sc2cc(OC)c(O)cc2c1Cl

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
STING1 Q86WV6 1/20 0.52
COMT P21964 1/20 0.51
MAPT P10636 5/20 0.46
GAA P10253 5/20 0.46
LMNA P02545 3/20 0.46
ALDH1A1 P00352 3/20 0.46
KDM4E B2RXH2 2/20 0.46
MAPK1 P28482 2/20 0.46
HTT P42858 2/20 0.46
RXFP1 Q9HBX9 2/20 0.46
PRNP P04156 1/20 0.46
TSHR P16473 1/20 0.46
PPARG P37231 1/20 0.46
MAPK10 P53779 1/20 0.46
NCOA2 Q15596 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39

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
SCHEMBL1609028 0.89 STING1 (0.63) STING1COMTMAPTGAALMNA
SCHEMBL1608352 0.87 STING1 (0.57) STING1COMTMAPTGAALMNA
SCHEMBL5226644 0.82 STING1 (0.52) STING1COMTMAPTGAALMNA
SCHEMBL6026258 0.81 STING1 (0.51) STING1COMTMAPTGAALMNA
SCHEMBL5745806 0.79 STING1 (0.52) STING1COMTMAPTGAALMNA
SCHEMBL5226267 0.78 STING1 (0.51) STING1COMTMAPTGAALMNA
SCHEMBL8412494 0.78 NPSR1 (0.74) MAPTGAALMNAALDH1A1KDM4E
SCHEMBL5214310 0.77 L3MBTL1 (0.53) STING1MAPTGAALMNAALDH1A1
SCHEMBL6656891 0.76 MAPK1 (0.58) MAPTGAALMNAALDH1A1KDM4E
SCHEMBL5224932 0.75 STING1 (0.69) STING1MAPTGAALMNAALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8318785-B2 Pharmaceutical compounds ORION CORPORATION (FI) 2012-11-27 US disclosed
US-20110086852-A2 PHARMACEUTICAL COMPOUNDS ORION CORPORATION (FI) 2011-04-14 US disclosed
EP-1910325-B1 NEW PHARMACEUTICAL COMPOUNDS ORION CORP (FI) 2010-10-06 EP disclosed
US-20090209532-A1 PHARMACEUTICAL COMPOUNDS ORION CORPORATION (FI) 2009-08-20 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-20090209532-A1 PHARMACEUTICAL COMPOUNDS COMT, CYP2C19, UGT1A1 STING1 4828/4885COMT 1/4885MAPT 1148/4885
US-20110086852-A2 PHARMACEUTICAL COMPOUNDS COMT, CYP2C19, CYP3A4 STING1 4840/4885COMT 1/4885MAPT 2131/4885

“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.