SCHEMBL2887157

SCHEMBL2887157

COc1ccc(OC)c(Sc2ccccc2)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGIR P43119 1/20 0.50
LRRK2 Q5S007 4/20 0.49
CA12 O43570 1/20 0.48
CA1 P00915 1/20 0.48
CA2 P00918 1/20 0.48
CA7 P43166 1/20 0.48
CA9 Q16790 1/20 0.48
CA14 Q9ULX7 1/20 0.48
L3MBTL1 Q9Y468 2/20 0.44
KDM4E B2RXH2 1/20 0.44
MAPK1 P28482 1/20 0.43
RECQL P46063 1/20 0.43
ALDH1A1 P00352 2/20 0.43
MAPT P10636 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
LMNA P02545 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
MEN1 O00255 1/20 0.43
THRB P10828 1/20 0.43
KMT2A Q03164 1/20 0.43

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
SCHEMBL18060991 0.86 LTA4H (0.47) PTGIRLRRK2KDM4EALDH1A1SMN1; SMN2
SCHEMBL29083009 0.85 CYP1A2 (0.45) KDM4EALDH1A1SMN1; SMN2LMNAMEN1
SCHEMBL9487582 0.85 CA12 (0.60) PTGIRLRRK2CA12CA1CA2
SCHEMBL38663217 0.85 CA12 (0.60) PTGIRLRRK2CA12CA1CA2
SCHEMBL8738414 0.84 MAPT (0.58) PTGIRLRRK2CA12CA1CA2
SCHEMBL31345518 0.84 MAPT (0.58) PTGIRLRRK2CA12CA1CA2
SCHEMBL6512960 0.82 CYP1A2 (0.42) KDM4EALDH1A1SMN1; SMN2LMNAMEN1
SCHEMBL14176623 0.82 MAPT (0.51) L3MBTL1MAPK1ALDH1A1MAPTSMN1; SMN2
Nitrogen SCHEMBL10783880 0.81 MAPT (0.55) PTGIRLRRK2CA12CA1CA2
SCHEMBL6516678 0.81 CYP1A2 (0.41) KDM4EALDH1A1SMN1; SMN2LMNAMEN1

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-7683218-B2 Method for producing thioether compound BANYU PHARMACEUTICAL CO., LTD. (JP) 2010-03-23 US disclosed
US-20080108823-A1 Method For Producing Thioether Compound MSD K.K. (JP) 2008-05-08 US disclosed
EP-1806337-A1 METHOD FOR PRODUCING THIOETHER COMPOUND BANYU PHARMACEUTICAL CO., LTD. (JP) 2007-07-11 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-20080108823-A1 Method For Producing Thioether Compound TST, MPST, PPIP5K2 PTGIR 2705/4885LRRK2 66/4885CA12 1268/4885

“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.