SCHEMBL9934266

SCHEMBL9934266

COC(c1ccc(B(O)O)cc1)c1cccc(Br)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 1/20 0.46
TDO2 P48775 1/20 0.46
CA2 P00918 3/20 0.40
CA1 P00915 2/20 0.40
TSHR P16473 1/20 0.40
ENPP2 Q13822 2/20 0.37
CYP3A4 P08684 3/20 0.33
CYP2D6 P10635 3/20 0.33
SLC6A2 P23975 3/20 0.33
SLC6A4 P31645 3/20 0.33
SLC6A3 Q01959 3/20 0.33
KCNH2 Q12809 1/20 0.33
TUBB4A P04350 1/20 0.33
TUBB P07437 1/20 0.33
TUBA3C P0DPH7 1/20 0.33
TUBA1B P68363 1/20 0.33
TUBA4A P68366 1/20 0.33
TUBB4B P68371 1/20 0.33
TUBB3 Q13509 1/20 0.33
TUBB2A Q13885 1/20 0.33

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
SCHEMBL8850690 0.82 IDO1 (0.66) IDO1TDO2SLC6A2SLC6A4SLC6A3
SCHEMBL28008631 0.76 IDO1 (0.50) IDO1TDO2CYP3A4CYP2D6SLC6A2
SCHEMBL11076842 0.74 IDO1 (0.47) IDO1TDO2CYP3A4CYP2D6SLC6A2
SCHEMBL12313930 0.74 TRPV6 (0.44) IDO1TDO2ENPP2
SCHEMBL28008531 0.72 IDO1 (0.40) IDO1TDO2TSHR
SCHEMBL6205042 0.70 IDO1 (0.44) IDO1TDO2CYP3A4CYP2D6SLC6A2
SCHEMBL511201 0.69 IDO1 (0.47) IDO1TDO2SLC6A2SLC6A4
SCHEMBL30608097 0.69 IDO1 (0.47) IDO1TDO2SLC6A2SLC6A4
SCHEMBL1773224 0.69 SLC6A4 (0.54) IDO1TDO2SLC6A2SLC6A4SLC6A3
SCHEMBL18995245 0.69 IDO1 (0.39) IDO1TDO2CYP3A4CYP2D6SLC6A2

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 3 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
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

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 IDO1 3068/4885TDO2 3793/4885CA2 3296/4885

“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.