SCHEMBL9964422

SCHEMBL9964422

COc1ncccc1-c1cccc2c1CC[C@H]2Oc1ccc(-c2cc(O)n[s+]2[O-])cc1

nearest known ligand 0.37

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PDCD1 Q15116 18/20 0.37
CD274 Q9NZQ7 18/20 0.37
DRD2 P14416 1/20 0.33
DRD1 P21728 1/20 0.33
DRD4 P21917 1/20 0.33
DRD5 P21918 1/20 0.33

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
SCHEMBL9964424 0.90 CD274 (0.33) PDCD1CD274
SCHEMBL9964421 0.88 PDCD1 (0.43) PDCD1CD274
SCHEMBL9964430 0.86 DRD2 (0.38) PDCD1CD274DRD2DRD1DRD4
SCHEMBL9964423 0.85 FFAR1 (0.35) PDCD1CD274
SCHEMBL9964444 0.85 CD274 (0.36) PDCD1CD274DRD2DRD1DRD4
SCHEMBL9964425 0.85 CD274 (0.39) PDCD1CD274DRD2DRD1DRD4
SCHEMBL9934461 0.84 ADRA2A (0.41) PDCD1CD274
SCHEMBL9964419 0.84 CD274 (0.41) PDCD1CD274DRD2DRD1DRD4
SCHEMBL9964420 0.83 DRD2 (0.35) PDCD1CD274DRD2DRD1DRD4
SCHEMBL9964438 0.83 CD274 (0.38) PDCD1CD274DRD2DRD1DRD4

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
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

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 PDCD1 4644/4885CD274 4376/4885DRD2 950/4885

“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.