SCHEMBL9964451

SCHEMBL9964451

COc1cc(Oc2cccc3c2CCC3Oc2ccc(-c3cc(O)n[s+]3[O-])cc2)ccn1

nearest known ligand 0.37

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 5/20 0.37
RAF1 P04049 2/20 0.32
BRAF P15056 2/20 0.32
ADRA2A P08913 1/20 0.30
ADRA1A P35348 1/20 0.30
PDCD1 Q15116 1/20 0.30
CD274 Q9NZQ7 1/20 0.30

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
SCHEMBL9935737 0.87 FFAR1 (0.35) FFAR1
SCHEMBL9964427 0.85 FFAR1 (0.37) FFAR1
SCHEMBL9964432 0.84 FFAR1 (0.36) FFAR1
SCHEMBL10058429 0.84 FFAR1 (0.35) FFAR1
SCHEMBL15190842 0.82 FFAR1 (0.38) FFAR1RAF1BRAFADRA2AADRA1A
SCHEMBL9964425 0.81 CD274 (0.39) FFAR1PDCD1CD274
SCHEMBL9964452 0.80 FFAR1 (0.45) FFAR1ADRA2AADRA1APDCD1CD274
SCHEMBL9935059 0.79 FFAR1 (0.35) FFAR1
SCHEMBL9934745 0.79 FFAR1 (0.43) FFAR1
SCHEMBL9964422 0.79 PDCD1 (0.37) PDCD1CD274

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-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
WO-2012147518-A1 NOVEL 3-HYDROXYISOTHIAZOLE 1-OXIDE DERIVATIVE 持田製薬株式会社 (JP) 2012-11-01 WO 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 39/4885RAF1 2168/4885BRAF 4205/4885

“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.