SCHEMBL9964430

SCHEMBL9964430

[O-][s+]1nc(O)cc1-c1ccc(O[C@@H]2CCc3c(-c4ccncc4)cccc32)cc1

nearest known ligand 0.38

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 2/20 0.38
DRD1 P21728 2/20 0.38
DRD4 P21917 2/20 0.38
DRD5 P21918 2/20 0.38
CD274 Q9NZQ7 15/20 0.35
PDCD1 Q15116 12/20 0.35
FFAR1 O14842 3/20 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
SCHEMBL9964419 0.92 CD274 (0.41) DRD2DRD1DRD4DRD5CD274
SCHEMBL9934461 0.91 ADRA2A (0.41) CD274PDCD1
SCHEMBL9935737 0.87 FFAR1 (0.35) FFAR1
SCHEMBL9964441 0.86 CD274 (0.35) DRD2DRD1DRD4DRD5CD274
SCHEMBL9964414 0.86 FFAR1 (0.38) DRD2DRD1DRD4DRD5CD274
SCHEMBL9934065 0.85 FFAR1 (0.43) FFAR1
SCHEMBL9964425 0.84 CD274 (0.39) DRD2DRD1DRD4DRD5CD274
SCHEMBL9964444 0.84 CD274 (0.36) DRD2DRD1DRD4DRD5CD274
SCHEMBL9964452 0.84 FFAR1 (0.45) CD274PDCD1FFAR1
SCHEMBL9964394 0.84 FFAR1 (0.44) DRD2DRD1DRD4DRD5CD274

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 5 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
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
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 DRD2 950/4885DRD1 713/4885DRD4 975/4885

“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.