SCHEMBL9964448

SCHEMBL9964448

CN1CCC(Oc2cccc3c2CCC3Oc2ccc(-c3cc(O)n[s+]3[O-])cc2)CC1

nearest known ligand 0.35

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 1/20 0.35
ACVR1 Q04771 1/20 0.35
FFAR1 O14842 10/20 0.35
CHEK2 O96017 1/20 0.33
SMN1; SMN2 Q16637 2/20 0.32
TIPARP Q7Z3E1 1/20 0.32
HRH3 Q9Y5N1 1/20 0.32
DRD2 P14416 1/20 0.32
DRD1 P21728 1/20 0.32
DRD4 P21917 1/20 0.32
DRD5 P21918 1/20 0.32
SRC P12931 1/20 0.32
KDM4E B2RXH2 2/20 0.32
NPY1R P25929 1/20 0.32
NPY2R P49146 1/20 0.32
LMNA P02545 1/20 0.31
MAPT P10636 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31

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
SCHEMBL9934583 0.90 TGFBR1 (0.35) TGFBR1ACVR1FFAR1CHEK2SMN1; SMN2
SCHEMBL9935059 0.89 FFAR1 (0.35) FFAR1
SCHEMBL9935002 0.88 FFAR1 (0.34) FFAR1
SCHEMBL9964427 0.83 FFAR1 (0.37) FFAR1
SCHEMBL9964452 0.82 FFAR1 (0.45) FFAR1
SCHEMBL9934065 0.81 FFAR1 (0.43) FFAR1
SCHEMBL10058429 0.81 FFAR1 (0.35) FFAR1
SCHEMBL9935737 0.81 FFAR1 (0.35) FFAR1
SCHEMBL9964395 0.80 FFAR1 (0.33) FFAR1DRD2DRD1DRD4DRD5
SCHEMBL9964439 0.80 FFAR1 (0.44) FFAR1DRD2DRD1DRD4DRD5

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 5 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-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
WO-2011078371-A1 NOVEL 3-HYDROXY-5-ARYLISOTHIAZOLE DERIVATIVE 持田製薬株式会社 (JP) 2011-06-30 WO 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 TGFBR1 629/4885ACVR1 1363/4885FFAR1 39/4885

“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.