SCHEMBL9934322

SCHEMBL9934322

OCc1[c]ccc(OCC(O)CO)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.50
MAPK1 P28482 1/20 0.50
FGFR1 P11362 1/20 0.39
AR P10275 1/20 0.39
KDM4E B2RXH2 4/20 0.38
CYP1A2 P05177 3/20 0.38
AGTR1 P30556 1/20 0.38
LMNA P02545 1/20 0.38
PDE3B Q13370 1/20 0.38
PDE3A Q14432 1/20 0.38
P2RY12 Q9H244 1/20 0.38
KMT2A Q03164 2/20 0.36
ALDH2 P05091 1/20 0.36
MAOA P21397 1/20 0.36
MAOB P27338 1/20 0.36
HIF1A Q16665 1/20 0.36
MEN1 O00255 1/20 0.36
CYP2C19 P33261 1/20 0.36
PIK3CG P48736 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.35

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
SCHEMBL28008558 0.88 TSHR (0.48) TSHRMAPK1FGFR1ARKDM4E
SCHEMBL9934821 0.85 APP (0.37) TSHRMAPK1VDR
SCHEMBL5458142 0.81 TSHR (0.50) TSHRMAPK1FGFR1ARKDM4E
SCHEMBL5106296 0.81 MAPK1 (0.50) TSHRMAPK1FGFR1ARKDM4E
SCHEMBL5097237 0.81 TSHR (0.54) TSHRMAPK1FGFR1ARKDM4E
SCHEMBL5459138 0.77 MAPK1 (0.47) TSHRMAPK1FGFR1ARKDM4E
SCHEMBL9934560 0.76 ALDH1A1 (0.44) PDE3BPDE3AP2RY12KMT2AALDH2
SCHEMBL5655717 0.75 TSHR (0.50) TSHRMAPK1FGFR1ARKDM4E
SCHEMBL9934379 0.75 HRH3 (0.34) TSHRMAPK1KDM4ELMNAPDE3B
SCHEMBL9934953 0.75 PDK2 (0.35) FGFR1PDE3BPDE3AP2RY12KMT2A

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 TSHR 409/4885MAPK1 586/4885FGFR1 123/4885
US-20120220772-A1 NOVEL 3-HYDROXY-5-ARYLISOXAZOLE DERIVATIVE GPR119, GPR27, NR0B1 TSHR 446/4885MAPK1 713/4885FGFR1 165/4885

“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.