SCHEMBL9934638

SCHEMBL9934638

NS(=O)(=O)CCOc1cc[c]c(CO)c1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDIA6 Q15084 1/20 0.34
CA2 P00918 4/20 0.33
CA1 P00915 3/20 0.33
CA4 P22748 1/20 0.33
CA12 O43570 2/20 0.30
CA7 P43166 2/20 0.30
CA9 Q16790 2/20 0.30
TSHR P16473 1/20 0.30
LTA4H P09960 1/20 0.30
ALDH1A1 P00352 2/20 0.30
LMNA P02545 2/20 0.30
POLB P06746 2/20 0.30
RAB9A P51151 2/20 0.30
SMN1; SMN2 Q16637 2/20 0.30
NPC1 O15118 1/20 0.30
MAPT P10636 1/20 0.30
ALOX15 P16050 1/20 0.30
BRCA1 P38398 1/20 0.30
HTT P42858 1/20 0.30
KDM4E B2RXH2 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
SCHEMBL9935083 0.93 PDIA6 (0.36) PDIA6CA2CA1CA4CA12
SCHEMBL9934726 0.85 FFAR1 (0.33) PDIA6
SCHEMBL9935694 0.82
SCHEMBL9934435 0.82 LMNA (0.32) ALDH1A1LMNAMAPTHTTKDM4E
SCHEMBL9935104 0.81 FFAR1 (0.40) PDIA6
SCHEMBL28008160 0.79 PDIA6 (0.37) PDIA6CA2CA1CA4CA12
SCHEMBL9934560 0.79 ALDH1A1 (0.44) CA2CA1CA4CA12CA9
SCHEMBL9934188 0.79 PDIA6 (0.42) PDIA6CA2CA1CA12CA7
SCHEMBL9935744 0.78 PDK2 (0.36)
SCHEMBL9934246 0.78 KDM4E (0.32) PDIA6POLBKDM4E

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 PDIA6 4479/4885CA2 3296/4885CA1 4670/4885
US-20120220772-A1 NOVEL 3-HYDROXY-5-ARYLISOXAZOLE DERIVATIVE GPR119, GPR27, NR0B1 PDIA6 4391/4885CA2 2845/4885CA1 4393/4885

“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.