SCHEMBL9934797

SCHEMBL9934797

CC(=O)NCCOc1cc(C)[c]c(CO)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 6/20 0.50
MTNR1B P49286 6/20 0.50
USP2 O75604 1/20 0.47
ALOX15 P16050 1/20 0.47
TSHR P16473 1/20 0.47
MAPK1 P28482 1/20 0.47
HSD17B10 Q99714 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.46
ALDH1A1 P00352 2/20 0.45
LMNA P02545 1/20 0.41
KDM4E B2RXH2 1/20 0.38
HPGD P15428 1/20 0.38
PDK2 Q15119 1/20 0.38
NPC1 O15118 2/20 0.38
PRKAB2 O43741 1/20 0.37
PRKAG1 P54619 1/20 0.37
PRKAA2 P54646 1/20 0.37
PRKAA1 Q13131 1/20 0.37
PRKAG3 Q9UGI9 1/20 0.37
PRKAG2 Q9UGJ0 1/20 0.37

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
SCHEMBL9934297 0.96 L3MBTL1 (0.51) MTNR1AMTNR1BUSP2ALOX15TSHR
SCHEMBL9934699 0.80 ALDH1A1 (0.43) TSHRALDH1A1LMNAKDM4ENPC1
SCHEMBL9935244 0.79 ALDH1A1 (0.38) ALOX15TSHRMAPK1HSD17B10ALDH1A1
SCHEMBL9935357 0.78 ALDH1A1 (0.39) ALOX15TSHRALDH1A1LMNAKDM4E
SCHEMBL13411722 0.78 MTNR1A (0.70) MTNR1AMTNR1BUSP2ALOX15TSHR
SCHEMBL9934491 0.78 MTNR1A (0.55) MTNR1AMTNR1BUSP2ALOX15TSHR
SCHEMBL9934861 0.78 PDK2 (0.38) HSD17B10ALDH1A1LMNAPDK2NPC1
SCHEMBL9935516 0.77 TP53 (0.37) ALOX15TSHRMAPK1LMNA
SCHEMBL9934687 0.77 MCL1 (0.35) TSHRALDH1A1HPGDPDK2
SCHEMBL9934101 0.77 MCL1 (0.38) L3MBTL1PDK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104710381-A Novel 3-hydroxy-5-arylisothiazole derivative MOCHIDA PHARM CO LTD 2015-06-17 CN disclosed
CN-102712610-B Novel 3-hydroxy-5-arylisothiazole derivatives MOCHIDA PHARM CO LTD 2015-03-04 CN 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
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 MTNR1A 318/4885MTNR1B 509/4885USP2 4326/4885
US-20120220772-A1 NOVEL 3-HYDROXY-5-ARYLISOXAZOLE DERIVATIVE GPR119, GPR27, NR0B1 MTNR1A 351/4885MTNR1B 747/4885USP2 4466/4885

“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.