SCHEMBL9935353

SCHEMBL9935353

[O-][s+]1nc(O)cc1-c1ccc(OCc2cccc(C(F)(F)F)c2)cc1

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAOB P27338 8/20 0.54
NR4A2 P43354 2/20 0.53
MAPT P10636 2/20 0.50
FFAR1 O14842 2/20 0.50
POLB P06746 1/20 0.50
FFAR4 Q5NUL3 1/20 0.50
HTT P42858 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
ADAMTS4 O75173 1/20 0.46
MMP13 P45452 1/20 0.46
ADAMTS5 Q9UNA0 1/20 0.46
MRGPRX4 Q96LA9 2/20 0.45
PDGFRA P16234 1/20 0.44
S1PR1 P21453 1/20 0.44
S1PR5 Q9H228 1/20 0.44

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
SCHEMBL9934492 0.83 LMNA (0.51) MAOBNR4A2MAPTPOLBL3MBTL1
SCHEMBL9964416 0.83 MAOB (0.49) MAOBFFAR1FFAR4ADAMTS4MMP13
SCHEMBL9964413 0.83 DHFR (0.52) MAOBNR4A2ADAMTS4MMP13
SCHEMBL9935229 0.81 FFAR1 (0.50) FFAR1FFAR4
SCHEMBL9934172 0.79 FFAR1 (0.53) FFAR1FFAR4
SCHEMBL9935728 0.76 ALOX5AP (0.36) MAOBFFAR1MRGPRX4
SCHEMBL9964403 0.75 SLC22A12 (0.39) FFAR1
SCHEMBL9964405 0.75 PPARG (0.39)
SCHEMBL9964434 0.74 FFAR1 (0.41) FFAR1FFAR4
SCHEMBL9935547 0.74 MAOB (0.55) MAOBMAPTMRGPRX4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8476287-B2 3-hydroxy-5-arylisothiazole derivative MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2013-07-02 US claimed
US-20120157459-A1 NOVEL 3-HYDROXY-5-ARYLISOTHIAZOLE DERIVATIVE MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2012-06-21 US claimed
US-8476287-B2 3-hydroxy-5-arylisothiazole derivative MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2013-07-02 US disclosed
US-8476287-B2 3-hydroxy-5-arylisothiazole derivative MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2013-07-02 US disclosed
US-8476287-B2 3-hydroxy-5-arylisothiazole derivative MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2013-07-02 US disclosed
EP-2518060-A1 NOVEL 3-HYDROXY-5-ARYLISOTHIAZOLE DERIVATIVE Mochida Pharmaceutical Co., Ltd. (JP) 2012-10-31 EP disclosed
US-20120157459-A1 NOVEL 3-HYDROXY-5-ARYLISOTHIAZOLE DERIVATIVE MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2012-06-21 US disclosed
US-20120157459-A1 NOVEL 3-HYDROXY-5-ARYLISOTHIAZOLE DERIVATIVE MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2012-06-21 US disclosed
US-20120157459-A1 NOVEL 3-HYDROXY-5-ARYLISOTHIAZOLE DERIVATIVE MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2012-06-21 US disclosed
WO-2011078371-A1 NOVEL 3-HYDROXY-5-ARYLISOTHIAZOLE DERIVATIVE 持田製薬株式会社 (JP) 2011-06-30 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-20120157459-A1 NOVEL 3-HYDROXY-5-ARYLISOTHIAZOLE DERIVATIVE GPR119, GPR27, NR0B1 MAOB 4453/4885NR4A2 7/4885MAPT 4385/4885

“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.