SCHEMBL15190842

SCHEMBL15190842

COc1cc(Oc2cccc3c2CC[C@H]3Oc2ccc(-c3cc(O)ns3)cc2)ccn1

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 12/20 0.38
RAF1 P04049 1/20 0.32
BRAF P15056 1/20 0.32
ADRA2A P08913 1/20 0.32
ADRA1A P35348 1/20 0.32
PDCD1 Q15116 3/20 0.31
CD274 Q9NZQ7 3/20 0.31
HCRTR1 O43613 2/20 0.31
HCRTR2 O43614 2/20 0.31
CYP19A1 P11511 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
SCHEMBL15190629 0.90 FFAR1 (0.37) FFAR1
SCHEMBL15190623 0.90 FFAR1 (0.37) FFAR1
SCHEMBL15509498 0.87 FFAR1 (0.37) FFAR1
SCHEMBL15190733 0.87 FFAR1 (0.41) FFAR1PDCD1CD274
SCHEMBL15509894 0.86 FFAR1 (0.37) FFAR1PDCD1CD274
SCHEMBL13518579 0.86 FFAR1 (0.38) FFAR1
SCHEMBL15190613 0.86 FFAR1 (0.36) FFAR1CYP19A1
SCHEMBL15190784 0.86 FFAR1 (0.39) FFAR1ADRA2AADRA1APDCD1CD274
SCHEMBL15190635 0.86 FFAR1 (0.41) FFAR1ADRA2AADRA1APDCD1CD274
SCHEMBL15190603 0.84 FFAR1 (0.39) FFAR1

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
EP-2703394-A1 NOVEL 3-HYDROXYISOTHIAZOLE 1-OXIDE DERIVATIVE Mochida Pharmaceutical Co., Ltd. (JP) 2014-03-05 EP claimed
US-8765752-B2 3-hydroxyisothiazole 1-oxide derivatives MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2014-07-01 US disclosed
EP-2703394-A1 NOVEL 3-HYDROXYISOTHIAZOLE 1-OXIDE DERIVATIVE Mochida Pharmaceutical Co., Ltd. (JP) 2014-03-05 EP disclosed
US-20130217690-A1 NOVEL 3-HYDROXYISOTHIAZOLE 1-OXIDE DERIVATIVES MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2013-08-22 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-20130217690-A1 NOVEL 3-HYDROXYISOTHIAZOLE 1-OXIDE DERIVATIVES GPR119, GPR27, GPR65 FFAR1 29/4885RAF1 2397/4885BRAF 4461/4885

“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.