SCHEMBL9935318

SCHEMBL9935318

COc1c(COc2ccc(-c3cc(O)n[s+]3[O-])cc2)cccc1-c1c(C)cccc1C

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 5/20 0.40
ALOX5 P09917 1/20 0.36
ALOX5AP P20292 1/20 0.36
PIK3CD O00329 2/20 0.35
MGAM O43451 3/20 0.34
GAA P10253 3/20 0.34
SI P14410 3/20 0.34
MGAM2 Q2M2H8 3/20 0.34
PDCD1 Q15116 6/20 0.33
CD274 Q9NZQ7 6/20 0.33
KMT2A Q03164 1/20 0.33
FFAR4 Q5NUL3 1/20 0.33
PTGER4 P35408 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
SCHEMBL9964379 0.80 FFAR1 (0.41) FFAR1CD274
SCHEMBL9964403 0.80 SLC22A12 (0.39) FFAR1KMT2A
SCHEMBL9964374 0.79 FFAR1 (0.40) FFAR1CD274
SCHEMBL9934172 0.79 FFAR1 (0.53) FFAR1FFAR4
SCHEMBL9964408 0.77 PARP10 (0.35) FFAR1CD274KMT2AFFAR4PTGER4
SCHEMBL9964354 0.77 FFAR1 (0.42) FFAR1CD274
SCHEMBL9964391 0.77 FFAR1 (0.38) FFAR1PDCD1CD274
SCHEMBL9934654 0.77 FFAR1 (0.38) FFAR1CD274
SCHEMBL9964383 0.77 CD274 (0.41) FFAR1PDCD1CD274
SCHEMBL9964361 0.75 FFAR1 (0.46) 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 7 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 claimed
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
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 39/4885ALOX5 2224/4885ALOX5AP 2651/4885

“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.