SCHEMBL9934297

SCHEMBL9934297

CC(=O)NCCCOc1cc(C)[c]c(CO)c1

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.51
MTNR1A P48039 12/20 0.46
MTNR1B P49286 12/20 0.46
USP2 O75604 1/20 0.43
ALOX15 P16050 1/20 0.43
TSHR P16473 1/20 0.43
MAPK1 P28482 1/20 0.43
HSD17B10 Q99714 1/20 0.43
ALDH1A1 P00352 1/20 0.41
PDK2 Q15119 1/20 0.39
LMNA P02545 1/20 0.38
RAB9A P51151 1/20 0.38

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
SCHEMBL9934797 0.96 MTNR1A (0.50) L3MBTL1MTNR1AMTNR1BUSP2ALOX15
SCHEMBL9935357 0.80 ALDH1A1 (0.39) ALOX15TSHRALDH1A1LMNARAB9A
SCHEMBL9935516 0.79 TP53 (0.37) ALOX15TSHRMAPK1LMNA
SCHEMBL9934687 0.79 MCL1 (0.35) TSHRALDH1A1PDK2
SCHEMBL9934021 0.78 PDE3B (0.40) ALDH1A1PDK2LMNA
SCHEMBL9934699 0.78 ALDH1A1 (0.43) TSHRALDH1A1LMNARAB9A
SCHEMBL9935415 0.78 L3MBTL1 (0.55) L3MBTL1MTNR1AMTNR1BUSP2ALOX15
SCHEMBL9935244 0.78 ALDH1A1 (0.38) ALOX15TSHRMAPK1HSD17B10ALDH1A1
SCHEMBL9935356 0.77 NOS3 (0.33) ALOX15MAPK1PDK2
SCHEMBL9934861 0.77 PDK2 (0.38) HSD17B10ALDH1A1PDK2LMNARAB9A

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 L3MBTL1 3372/4885MTNR1A 318/4885MTNR1B 509/4885
US-20120220772-A1 NOVEL 3-HYDROXY-5-ARYLISOXAZOLE DERIVATIVE GPR119, GPR27, NR0B1 L3MBTL1 4270/4885MTNR1A 351/4885MTNR1B 747/4885

“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.