SCHEMBL9964461

SCHEMBL9964461

Cc1nc(OCCCS(C)(=O)=O)nc(C)c1-c1cccc(COc2ccc(B3OC(=O)CN(C)CC(=O)O3)cc2)c1C

nearest known ligand 0.39

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 7/20 0.39
CD274 Q9NZQ7 6/20 0.33
PDCD1 Q15116 1/20 0.31
MPO P05164 1/20 0.31
CYP3A4 P08684 1/20 0.31

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
SCHEMBL9964458 0.87 FFAR1 (0.37) FFAR1CD274CYP3A4
SCHEMBL9964460 0.87 FFAR1 (0.42) FFAR1CD274
SCHEMBL9964459 0.87 FFAR1 (0.34) FFAR1CD274PDCD1
SCHEMBL9964471 0.86 CD274 (0.48) FFAR1CD274
SCHEMBL9964481 0.85 FFAR1 (0.35) FFAR1CD274
SCHEMBL9964487 0.79 FFAR1 (0.34) FFAR1CD274CYP3A4
SCHEMBL9964462 0.76 FFAR1 (0.49) FFAR1
SCHEMBL15160198 0.76 FFAR1 (0.38) FFAR1CD274PDCD1MPOCYP3A4
SCHEMBL9964501 0.74 FFAR1 (0.43) FFAR1
SCHEMBL9964454 0.74 FFAR1 (0.39) FFAR1CD274

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 4 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
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

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 39/4885CD274 4376/4885PDCD1 4644/4885

“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.