Sugi Predict

Sugi Predict / Compounds / SCHEMBL9935340

SCHEMBL9935340

SCHEMBL9935340

Cc1cc(OCCC(C)(C)O)nc(C)c1O

nearest known ligand 0.35

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ VDR P11473 2/20 0.35
▸ PIM1 P11309 1/20 0.34
▸ PDE2A O00408 1/20 0.32
▸ PDE10A Q9Y233 1/20 0.32
▸ THRB P10828 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ CYP2D6 P10635 1/20 0.31
▸ MAPT P10636 2/20 0.31
▸ ALDH1A1 P00352 1/20 0.31
▸ LMNA P02545 1/20 0.31
▸ HTT P42858 1/20 0.31
▸ ATM Q13315 1/20 0.31
▸ TDP1 Q9NUW8 1/20 0.31
▸ KDM4E B2RXH2 1/20 0.31
▸ NUDT1 P36639 2/20 0.31
▸ IKBKB O14920 2/20 0.30
▸ LTB4R Q15722 1/20 0.30
▸ ESR1 P03372 1/20 0.30
▸ ESR2 Q92731 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 0.86 VDR (0.39) VDRPIM1PDE2APDE10ATHRB
SCHEMBL9933555 0.83 VDR (0.37) VDRPIM1PDE2APDE10ATHRB
SCHEMBL9935337 0.83 VDR (0.34) VDRPIM1PDE2APDE10ATHRB
SCHEMBL9935004 0.83 VDR (0.34) VDRPIM1PDE2APDE10ATHRB
SCHEMBL9935183 0.82 VDR (0.36) VDRPIM1PDE2APDE10ATHRB
SCHEMBL9935178 0.81 VDR (0.33) VDRPIM1PDE2APDE10ATHRB
SCHEMBL9936303 0.80 THRB (0.49) THRBKMT2AMAPTALDH1A1LMNA
SCHEMBL13516712 0.76 NCF1 (0.36) THRBKMT2AMAPTALDH1A1LMNA
SCHEMBL9935583 0.75 PTGS1 (0.41) VDRPDE2APDE10ACYP2D6ESR1
SCHEMBL13139842 0.74 CNR1 (0.36) VDRPIM1PDE2APDE10ACYP2D6

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-2703394-A1 NOVEL 3-HYDROXYISOTHIAZOLE 1-OXIDE DERIVATIVE Mochida Pharmaceutical Co., Ltd. (JP) 2014-03-05 — — EP disclosed
EP-2703393-A1 CYCLIC AMIDE 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 94/4885PIM1 4568/4885PDE2A 1888/4885
US-20140057871-A1 CYCLIC AMIDE DERIVATIVE GPR119, NR0B1, NR4A1 VDR 103/4885PIM1 4607/4885PDE2A 2004/4885
US-20130210721-A1 NOVEL 3-HYDROXYISOTHIAZOLE 1-OXIDE DERIVATIVES GPR119, GPR27, GPR65 VDR 161/4885PIM1 4262/4885PDE2A 2970/4885
US-20130217690-A1 NOVEL 3-HYDROXYISOTHIAZOLE 1-OXIDE DERIVATIVES GPR119, GPR27, GPR65 VDR 161/4885PIM1 4262/4885PDE2A 2970/4885
US-20150225392-A1 CYCLIC AMIDE DERIVATIVE GPR119, NR0B1, NR2C2 VDR 203/4885PIM1 4745/4885PDE2A 2116/4885
US-20120157459-A1 NOVEL 3-HYDROXY-5-ARYLISOTHIAZOLE DERIVATIVE GPR119, GPR27, NR0B1 VDR 77/4885PIM1 4293/4885PDE2A 3075/4885
US-20120220772-A1 NOVEL 3-HYDROXY-5-ARYLISOXAZOLE DERIVATIVE GPR119, GPR27, NR0B1 VDR 60/4885PIM1 4333/4885PDE2A 3384/4885
US-20120277150-A1 NOVEL 3-HYDROXYISOTHIAZOLE 1-OXIDE DERIVATIVE GPR119, GPR27, GPR65 VDR 161/4885PIM1 4241/4885PDE2A 2851/4885
US-20130203739-A1 CYCLIC AMIDE DERIVATIVE GPR119, NR0B1, NR2C2 VDR 239/4885PIM1 4715/4885PDE2A 2147/4885

“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.