SCHEMBL9964429

SCHEMBL9964429

CCOCCOc1ccc(-c2cccc3c2CC[C@H]3Oc2ccc(-c3cc(O)n[s+]3[O-])cc2)c(C)n1

nearest known ligand 0.34

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 1/20 0.34
FFAR1 O14842 11/20 0.33
PDCD1 Q15116 5/20 0.33
CD274 Q9NZQ7 5/20 0.33
S1PR1 P21453 3/20 0.31
S1PR2 O95136 1/20 0.31
S1PR4 O95977 1/20 0.31
S1PR3 Q99500 1/20 0.31
S1PR5 Q9H228 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
SCHEMBL9964449 0.89 FFAR1 (0.34) FFAR1PDCD1CD274
SCHEMBL9964431 0.88 MCHR1 (0.34) FFAR1PDCD1CD274
SCHEMBL9964438 0.88 CD274 (0.38) ESR1FFAR1PDCD1CD274
SCHEMBL9934745 0.86 FFAR1 (0.43) FFAR1
SCHEMBL9964436 0.86 FFAR1 (0.36) FFAR1PDCD1CD274
SCHEMBL9964424 0.83 CD274 (0.33) FFAR1PDCD1CD274
SCHEMBL12632545 0.81 CD274 (0.38) FFAR1PDCD1CD274
SCHEMBL15485585 0.81 FFAR1 (0.33) FFAR1PDCD1CD274
SCHEMBL9964421 0.80 PDCD1 (0.43) PDCD1CD274
SCHEMBL9964360 0.79 CD274 (0.33) FFAR1PDCD1CD274

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
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 ESR1 274/4885FFAR1 39/4885PDCD1 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.