SCHEMBL9934202

SCHEMBL9934202

COC(=O)c1cccc(B2OCC(C)(C)CO2)c1C

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
FFAR4 Q5NUL3 1/20 0.40
NPC1 O15118 2/20 0.40
LMNA P02545 3/20 0.39
KDM4E B2RXH2 3/20 0.39
POLB P06746 2/20 0.39
ATM Q13315 1/20 0.39
ALDH1A1 P00352 5/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
RAB9A P51151 2/20 0.38
HSD17B10 Q99714 2/20 0.38
HTT P42858 1/20 0.38
TSHR P16473 1/20 0.37
ALOX5 P09917 1/20 0.36
CFTR P13569 1/20 0.36
MAPT P10636 1/20 0.36
ALOX15 P16050 1/20 0.36
KMT2A Q03164 1/20 0.36
PTPRC P08575 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
SCHEMBL14016528 0.87 KDM4E (0.45) NPC1LMNAKDM4EPOLBATM
SCHEMBL562324 0.82 LMNA (0.40) FFAR4NPC1LMNAKDM4EPOLB
SCHEMBL5892462 0.76 TSHR (0.53) LMNAKDM4EPOLBALDH1A1SMN1; SMN2
SCHEMBL29666369 0.76 TSHR (0.53) LMNAKDM4EPOLBALDH1A1SMN1; SMN2
SCHEMBL5918843 0.75
SCHEMBL3196403 0.75 TRPA1 (0.38) ATM
SCHEMBL14415186 0.74 ALDH1A1 (0.40) NPC1LMNAKDM4EPOLBATM
SCHEMBL31386677 0.74 KDM4E (0.43) LMNAKDM4EPOLBATMALDH1A1
SCHEMBL30689718 0.74 ALDH1A1 (0.41) KDM4EPOLBALDH1A1SMN1; SMN2HSD17B10
SCHEMBL24770242 0.74 NPC1 (0.34) NPC1KDM4EPOLBATMALDH1A1

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 7 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-8476287-B2 3-hydroxy-5-arylisothiazole derivative MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2013-07-02 US disclosed
US-8476287-B2 3-hydroxy-5-arylisothiazole derivative MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2013-07-02 US disclosed
EP-2518060-A1 NOVEL 3-HYDROXY-5-ARYLISOTHIAZOLE DERIVATIVE Mochida Pharmaceutical Co., Ltd. (JP) 2012-10-31 EP disclosed
US-20120157459-A1 NOVEL 3-HYDROXY-5-ARYLISOTHIAZOLE DERIVATIVE MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2012-06-21 US disclosed
US-20120157459-A1 NOVEL 3-HYDROXY-5-ARYLISOTHIAZOLE DERIVATIVE MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2012-06-21 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 (1 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 FFAR4 40/4885NPC1 1649/4885LMNA 4218/4885

“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.