SCHEMBL9935728

SCHEMBL9935728

[O-][s+]1nc(O)cc1-c1ccc(OCc2cccc(N3CCC(F)(F)CC3)c2)cc1

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALOX5AP P20292 4/20 0.36
ALKBH1 Q13686 1/20 0.36
FFAR1 O14842 2/20 0.35
MRGPRX4 Q96LA9 1/20 0.35
CYP4F2 P78329 1/20 0.35
CYP4A11 Q02928 1/20 0.35
AGXT P21549 3/20 0.34
PRMT5 O14744 3/20 0.34
F10 P00742 2/20 0.34
MAOB P27338 2/20 0.33
KDM1A O60341 1/20 0.33
MAOA P21397 1/20 0.33
MDM2 Q00987 1/20 0.32

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 0.77 LMNA (0.51) MAOBMAOAMDM2
SCHEMBL9964416 0.76 MAOB (0.49) FFAR1MRGPRX4MAOBMAOA
SCHEMBL9964413 0.76 DHFR (0.52) MAOBMAOA
SCHEMBL9935353 0.76 MAOB (0.54) FFAR1MRGPRX4MAOB
SCHEMBL9964405 0.75 PPARG (0.39)
SCHEMBL9935229 0.74 FFAR1 (0.50) ALKBH1FFAR1F10
SCHEMBL9934172 0.73 FFAR1 (0.53) FFAR1
SCHEMBL9964403 0.69 SLC22A12 (0.39) FFAR1
SCHEMBL9964434 0.69 FFAR1 (0.41) FFAR1
SCHEMBL9935547 0.68 MAOB (0.55) MRGPRX4MAOBMAOA

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-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-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 ALOX5AP 2651/4885ALKBH1 4769/4885FFAR1 39/4885

“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.