SCHEMBL9935748

SCHEMBL9935748

CC(C)(O)CCOc1ccc([O])cc1

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 2/20 0.43
PPARA Q07869 7/20 0.41
L3MBTL1 Q9Y468 2/20 0.40
GAA P10253 1/20 0.39
MAPT P10636 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
CYP3A4 P08684 1/20 0.39
PSMB1 P20618 1/20 0.38
PSMB5 P28074 1/20 0.38
PSMB2 P49721 1/20 0.38
POLB P06746 1/20 0.36
FDPS P14324 1/20 0.36

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
SCHEMBL6255661 0.90 HRH3 (0.49) HRH3PPARAL3MBTL1GAAMAPT
SCHEMBL9935752 0.82 LTA4H (0.53) HRH3CYP3A4
SCHEMBL15782889 0.82 L3MBTL1 (0.52) HRH3PPARAL3MBTL1
SCHEMBL18034737 0.81 TDP1 (0.52) HRH3L3MBTL1GAAMAPTSMN1; SMN2
SCHEMBL9592060 0.81 SMN1; SMN2 (0.53) HRH3GAASMN1; SMN2CYP3A4PSMB1
SCHEMBL16637914 0.81 ALDH1A1 (0.54) HRH3PPARAL3MBTL1MAPTSMN1; SMN2
SCHEMBL8095513 0.80 KCNA3 (0.54) PPARAL3MBTL1MAPTFDPS
SCHEMBL24370621 0.79 L3MBTL1 (0.47) PPARAL3MBTL1GAAMAPT
SCHEMBL16745624 0.78 ENPP2 (0.47) HRH3PPARASMN1; SMN2CYP3A4PSMB1
SCHEMBL28308603 0.78 HRH3 (0.41) HRH3PPARAL3MBTL1GAAMAPT

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 6 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-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-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 (2 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 HRH3 427/4885PPARA 137/4885L3MBTL1 3372/4885
US-20120220772-A1 NOVEL 3-HYDROXY-5-ARYLISOXAZOLE DERIVATIVE GPR119, GPR27, NR0B1 HRH3 395/4885PPARA 162/4885L3MBTL1 4270/4885

“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.