SCHEMBL2886389

SCHEMBL2886389

CC(C)c1ccccc1Sc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.51
MEN1 O00255 3/20 0.51
KMT2A Q03164 3/20 0.51
LMNA P02545 4/20 0.49
SMN1; SMN2 Q16637 3/20 0.49
PDE7A Q13946 3/20 0.47
DHFR P00374 1/20 0.45
ALDH1A1 P00352 5/20 0.41
MAPK1 P28482 2/20 0.41
KDM4E B2RXH2 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
HPGD P15428 1/20 0.41
HTT P42858 1/20 0.41
GAA P10253 1/20 0.41
PKM P14618 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
GFER P55789 1/20 0.40

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
SCHEMBL2418894 0.79 SMN1; SMN2 (0.52) MAPTMEN1KMT2ALMNASMN1; SMN2
SCHEMBL2419682 0.78 MAPT (0.65) MAPTMEN1KMT2ALMNASMN1; SMN2
SCHEMBL2888693 0.77 GABRA1 (0.41) MAPTLMNADHFRMAPK1KDM4E
SCHEMBL18620906 0.77 MAPT (0.44) MAPTMEN1KMT2ALMNASMN1; SMN2
SCHEMBL5318161 0.76 L3MBTL1 (0.46) MAPTMEN1KMT2ASMN1; SMN2DHFR
SCHEMBL7606463 0.76 PDE7A (0.67) MAPTMEN1KMT2ALMNASMN1; SMN2
SCHEMBL20379425 0.76 PDE7A (0.61) MAPTMEN1KMT2ALMNASMN1; SMN2
SCHEMBL20379380 0.76 MAPT (0.52) MAPTMEN1KMT2ALMNASMN1; SMN2
SCHEMBL29881314 0.76 PDE7A (0.61) MAPTMEN1KMT2ALMNASMN1; SMN2
SCHEMBL11102967 0.76 PDE7A (0.61) MAPTMEN1KMT2ALMNASMN1; SMN2

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
US-7683218-B2 Method for producing thioether compound BANYU PHARMACEUTICAL CO., LTD. (JP) 2010-03-23 US disclosed
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
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
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 MAPT 3407/4885MEN1 2589/4885KMT2A 1791/4885

“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.