SCHEMBL9934525

SCHEMBL9934525

[O-][s+]1nc(O)cc1-c1ccc(NCc2cccc(Br)c2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 2/20 0.47
FFAR4 Q5NUL3 2/20 0.47
AGER Q15109 1/20 0.37
APP P05067 2/20 0.36
ALOX15 P16050 1/20 0.36
MAPK1 P28482 1/20 0.36
EGFR P00533 2/20 0.36
KDM4E B2RXH2 2/20 0.36
ALDH1A1 P00352 2/20 0.36
MEN1 O00255 2/20 0.36
MAPT P10636 2/20 0.36
KMT2A Q03164 2/20 0.36
GAA P10253 1/20 0.36
THRB P10828 1/20 0.36
PKM P14618 1/20 0.36
RAB9A P51151 1/20 0.36
BLM P54132 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
HIF1A Q16665 1/20 0.36
MTOR P42345 1/20 0.35

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
SCHEMBL9934348 0.80 IDO1 (0.39) FFAR1FFAR4THRBGABRG2GABRB3
SCHEMBL9964416 0.79 MAOB (0.49) FFAR1FFAR4
SCHEMBL9935547 0.74 MAOB (0.55) APPKDM4EALDH1A1MAPTGAA
SCHEMBL9934415 0.73 MAOB (0.55) ALDH1A1RAB9ASMN1; SMN2
SCHEMBL632168 0.70 FFAR1 (0.63) FFAR1FFAR4APPALOX15MAPK1
SCHEMBL27874985 0.69 FFAR1 (0.50) FFAR1FFAR4APPALOX15MAPK1
SCHEMBL11228429 0.69 FFAR1 (0.59) FFAR1FFAR4EGFRMEN1KMT2A
SCHEMBL30301295 0.69 HTT (0.62) FFAR1FFAR4ALOX15MAPK1EGFR
SCHEMBL28964160 0.69 HTT (0.62) FFAR1FFAR4ALOX15MAPK1EGFR
Hydrochloric Acid SCHEMBL4555996 0.68 FFAR1 (0.61) FFAR1FFAR4APPALOX15MAPK1

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 FFAR1 39/4885FFAR4 40/4885AGER 1864/4885

“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.