SCHEMBL9935004

SCHEMBL9935004

Cc1cc(OCCC(C)(C)O)nc(C)c1Br

nearest known ligand 0.34

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
VDR P11473 2/20 0.34
PDE2A O00408 1/20 0.32
PDE10A Q9Y233 1/20 0.32
PIM1 P11309 1/20 0.32
THRB P10828 1/20 0.31
KMT2A Q03164 1/20 0.31
CYP2D6 P10635 1/20 0.31
NUDT1 P36639 1/20 0.30

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
SCHEMBL9933558 0.84 VDR (0.39) VDRPDE2APDE10APIM1THRB
SCHEMBL9935340 0.83 VDR (0.35) VDRPDE2APDE10APIM1THRB
SCHEMBL9935337 0.82 VDR (0.34) VDRPDE2APDE10APIM1THRB
SCHEMBL9933555 0.82 VDR (0.37) VDRPDE2APDE10APIM1THRB
SCHEMBL13213422 0.81 THRB (0.47) THRBKMT2A
SCHEMBL9935183 0.81 VDR (0.36) VDRPDE2APDE10APIM1THRB
SCHEMBL9935178 0.79 VDR (0.33) VDRPDE2APDE10APIM1THRB
SCHEMBL2909779 0.77 VDR (0.35) VDRPDE2APDE10APIM1KMT2A
SCHEMBL2024485 0.77 VDR (0.35) VDRPIM1CYP2D6
SCHEMBL13117391 0.76 ALOX5 (0.34) PDE2APDE10ATHRBKMT2A

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 17 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-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-2518060-A1 NOVEL 3-HYDROXY-5-ARYLISOTHIAZOLE DERIVATIVE Mochida Pharmaceutical Co., Ltd. (JP) 2012-10-31 EP 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-20120157459-A1 NOVEL 3-HYDROXY-5-ARYLISOTHIAZOLE DERIVATIVE MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2012-06-21 US disclosed
US-20100267775-A1 OXADIAZOLIDINEDIONE COMPOUND ASTELLAS PHARMA INC. (JP) 2010-10-21 US disclosed
US-20100267775-A1 OXADIAZOLIDINEDIONE COMPOUND ASTELLAS PHARMA INC. (JP) 2010-10-21 US disclosed
EP-2216330-A1 OXADIAZOLIDINEDIONE COMPOUND Astellas Pharma Inc. (JP) 2010-08-11 EP 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-20120157459-A1 NOVEL 3-HYDROXY-5-ARYLISOTHIAZOLE DERIVATIVE GPR119, GPR27, NR0B1 VDR 77/4885PDE2A 3075/4885PDE10A 1619/4885
US-20120220772-A1 NOVEL 3-HYDROXY-5-ARYLISOXAZOLE DERIVATIVE GPR119, GPR27, NR0B1 VDR 60/4885PDE2A 3384/4885PDE10A 1920/4885
US-20100267775-A1 OXADIAZOLIDINEDIONE COMPOUND GPR119, GLP1R, GPR4 VDR 158/4885PDE2A 1931/4885PDE10A 1982/4885

“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.