SCHEMBL9964446

SCHEMBL9964446

Cc1nc(OCCC(C)(C)O)ccc1-c1cccc(CO)c1C

nearest known ligand 0.40

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CD274 Q9NZQ7 12/20 0.40
PDCD1 Q15116 9/20 0.40
S1PR1 P21453 1/20 0.35
S1PR3 Q99500 1/20 0.35
VDR P11473 2/20 0.34
PIM1 P11309 1/20 0.33
CYP2D6 P10635 1/20 0.32
PDE2A O00408 1/20 0.32
PDE10A Q9Y233 1/20 0.32
DGAT1 O75907 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
SCHEMBL13117539 0.86 CD274 (0.49) CD274PDCD1S1PR1S1PR3
SCHEMBL9933707 0.83 CD274 (0.38) CD274PDCD1S1PR1S1PR3VDR
SCHEMBL13117528 0.83 CD274 (0.44) CD274PDCD1S1PR1S1PR3VDR
SCHEMBL12004138 0.81 CD274 (0.39) CD274PDCD1S1PR1S1PR3VDR
SCHEMBL13970686 0.81 CD274 (0.40) CD274PDCD1S1PR1S1PR3PDE2A
SCHEMBL13117538 0.81 CD274 (0.40) CD274PDCD1S1PR1S1PR3PDE2A
SCHEMBL13117541 0.81 CD274 (0.40) CD274PDCD1S1PR1S1PR3PDE2A
SCHEMBL12578225 0.81 CD274 (0.37) CD274PDCD1
SCHEMBL13117624 0.80 CD274 (0.40) CD274PDCD1S1PR1S1PR3
SCHEMBL9935404 0.80 CD274 (0.40) CD274PDCD1S1PR1S1PR3VDR

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 15 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-8455500-B2 3-hydroxy-5-arylisoxazole derivative MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2013-06-04 US disclosed
US-8455500-B2 3-hydroxy-5-arylisoxazole derivative MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2013-06-04 US disclosed
US-8455500-B2 3-hydroxy-5-arylisoxazole derivative MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2013-06-04 US disclosed
EP-2495238-A1 NOVEL 3-HYDROXY-5-ARYLISOXAZOLE DERIVATIVE Mochida Pharmaceutical Co., Ltd. (JP) 2012-09-05 EP disclosed
US-20120220772-A1 NOVEL 3-HYDROXY-5-ARYLISOXAZOLE DERIVATIVE MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2012-08-30 US disclosed
US-20120220772-A1 NOVEL 3-HYDROXY-5-ARYLISOXAZOLE DERIVATIVE MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2012-08-30 US disclosed
US-20120220772-A1 NOVEL 3-HYDROXY-5-ARYLISOXAZOLE DERIVATIVE MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2012-08-30 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
US-7968552-B2 Oxadiazolidinedione compound ASTELLAS PHARMA INC. (JP) 2011-06-28 US disclosed
US-7968552-B2 Oxadiazolidinedione compound ASTELLAS PHARMA INC. (JP) 2011-06-28 US disclosed
US-20090186909-A1 Oxadiazolidinedione Compound ASTELLAS PHARMA INC. (JP) 2009-07-23 US disclosed
US-20090186909-A1 Oxadiazolidinedione Compound ASTELLAS PHARMA INC. (JP) 2009-07-23 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 (3 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-20090186909-A1 Oxadiazolidinedione Compound GPR119, GPR39, GPR65 CD274 2600/4885PDCD1 2193/4885S1PR1 855/4885
US-20120157459-A1 NOVEL 3-HYDROXY-5-ARYLISOTHIAZOLE DERIVATIVE GPR119, GPR27, NR0B1 CD274 4376/4885PDCD1 4644/4885S1PR1 1224/4885
US-20120220772-A1 NOVEL 3-HYDROXY-5-ARYLISOXAZOLE DERIVATIVE GPR119, GPR27, NR0B1 CD274 4445/4885PDCD1 4690/4885S1PR1 852/4885

“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.