SCHEMBL9935183

SCHEMBL9935183

Cc1cc(OCCC(C)(C)O)nc(C)c1CO

nearest known ligand 0.36

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
VDR P11473 2/20 0.36
THRB P10828 1/20 0.33
KMT2A Q03164 1/20 0.33
NUDT1 P36639 1/20 0.32
IKBKB O14920 2/20 0.32
PDE2A O00408 1/20 0.31
PDE10A Q9Y233 1/20 0.31
PIM1 P11309 1/20 0.31
LTB4R Q15722 2/20 0.31
CYP2D6 P10635 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
SCHEMBL9935178 0.87 VDR (0.33) VDRTHRBKMT2AIKBKBPDE2A
SCHEMBL9933558 0.83 VDR (0.39) VDRTHRBKMT2ANUDT1IKBKB
SCHEMBL9936004 0.83 THRB (0.47) THRBKMT2AIKBKB
SCHEMBL9935340 0.82 VDR (0.35) VDRTHRBKMT2ANUDT1IKBKB
SCHEMBL9935337 0.81 VDR (0.34) VDRTHRBKMT2ANUDT1IKBKB
SCHEMBL9933555 0.81 VDR (0.37) VDRTHRBKMT2ANUDT1PDE2A
SCHEMBL9935004 0.81 VDR (0.34) VDRTHRBKMT2ANUDT1PDE2A
SCHEMBL9935595 0.76 VDR (0.40) VDRTHRBPDE2APDE10ACYP2D6
SCHEMBL12003893 0.75 FFAR1 (0.38) PIM1LTB4R
SCHEMBL9933707 0.74 CD274 (0.38) VDRPDE2APDE10APIM1LTB4R

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 20 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150266839-A1 CYCLIC AMIDE DERIVATIVE MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2015-09-24 US disclosed
US-20150225392-A1 CYCLIC AMIDE DERIVATIVE MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2015-08-13 US disclosed
US-9072758-B2 Cyclic amide derivative MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2015-07-07 US disclosed
US-9040525-B2 Cyclic amide derivative MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2015-05-26 US disclosed
US-8765752-B2 3-hydroxyisothiazole 1-oxide derivatives MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2014-07-01 US disclosed
EP-2703393-A1 CYCLIC AMIDE DERIVATIVE Mochida Pharmaceutical Co., Ltd. (JP) 2014-03-05 EP disclosed
EP-2703394-A1 NOVEL 3-HYDROXYISOTHIAZOLE 1-OXIDE DERIVATIVE Mochida Pharmaceutical Co., Ltd. (JP) 2014-03-05 EP disclosed
US-20140057871-A1 CYCLIC AMIDE DERIVATIVE MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2014-02-27 US disclosed
US-8629102-B2 3-hydroxyisothiazole 1-oxide derivatives MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2014-01-14 US disclosed
US-8557766-B2 3-hydroxyisothiazole 1-oxide derivatives MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2013-10-15 US disclosed
US-20130217690-A1 NOVEL 3-HYDROXYISOTHIAZOLE 1-OXIDE DERIVATIVES MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2013-08-22 US disclosed
US-20130210721-A1 NOVEL 3-HYDROXYISOTHIAZOLE 1-OXIDE DERIVATIVES MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2013-08-15 US disclosed
US-20130203739-A1 CYCLIC AMIDE DERIVATIVE MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2013-08-08 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-20120277150-A1 NOVEL 3-HYDROXYISOTHIAZOLE 1-OXIDE DERIVATIVE MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2012-11-01 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-20120157459-A1 NOVEL 3-HYDROXY-5-ARYLISOTHIAZOLE DERIVATIVE MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2012-06-21 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 (9 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-20150266839-A1 CYCLIC AMIDE DERIVATIVE GPR119, NR0B1, NR4A1 VDR 94/4885THRB 216/4885KMT2A 2776/4885
US-20140057871-A1 CYCLIC AMIDE DERIVATIVE GPR119, NR0B1, NR4A1 VDR 103/4885THRB 220/4885KMT2A 2552/4885
US-20130210721-A1 NOVEL 3-HYDROXYISOTHIAZOLE 1-OXIDE DERIVATIVES GPR119, GPR27, GPR65 VDR 161/4885THRB 248/4885KMT2A 3793/4885
US-20130217690-A1 NOVEL 3-HYDROXYISOTHIAZOLE 1-OXIDE DERIVATIVES GPR119, GPR27, GPR65 VDR 161/4885THRB 248/4885KMT2A 3793/4885
US-20150225392-A1 CYCLIC AMIDE DERIVATIVE GPR119, NR0B1, NR2C2 VDR 203/4885THRB 185/4885KMT2A 2336/4885
US-20120157459-A1 NOVEL 3-HYDROXY-5-ARYLISOTHIAZOLE DERIVATIVE GPR119, GPR27, NR0B1 VDR 77/4885THRB 195/4885KMT2A 3600/4885
US-20120220772-A1 NOVEL 3-HYDROXY-5-ARYLISOXAZOLE DERIVATIVE GPR119, GPR27, NR0B1 VDR 60/4885THRB 272/4885KMT2A 3915/4885
US-20120277150-A1 NOVEL 3-HYDROXYISOTHIAZOLE 1-OXIDE DERIVATIVE GPR119, GPR27, GPR65 VDR 161/4885THRB 264/4885KMT2A 3751/4885
US-20130203739-A1 CYCLIC AMIDE DERIVATIVE GPR119, NR0B1, NR2C2 VDR 239/4885THRB 197/4885KMT2A 2096/4885

“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.