SCHEMBL9934379

SCHEMBL9934379

CC(O)CCOc1cc[c]c(CO)c1

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 1/20 0.34
PDE3B Q13370 1/20 0.33
PDE3A Q14432 1/20 0.33
P2RY12 Q9H244 1/20 0.33
MAPK1 P28482 2/20 0.33
TDP1 Q9NUW8 2/20 0.33
PDE2A O00408 1/20 0.32
PDE10A Q9Y233 1/20 0.32
NR1H4 Q96RI1 1/20 0.32
PTPN1 P18031 1/20 0.31
EPHX2 P34913 1/20 0.31
LMNA P02545 1/20 0.31
ADRB2 P07550 1/20 0.31
KDM4E B2RXH2 1/20 0.30
PDK2 Q15119 1/20 0.30
GAA P10253 1/20 0.30
HTT P42858 1/20 0.30
TSHR P16473 1/20 0.30
L3MBTL1 Q9Y468 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
SCHEMBL28008161 0.87 TDP1 (0.35) HRH3PDE3BPDE3AP2RY12MAPK1
SCHEMBL28008146 0.87 TDP1 (0.35) HRH3PDE3BPDE3AP2RY12MAPK1
SCHEMBL28008213 0.87 TDP1 (0.35) HRH3PDE3BPDE3AP2RY12MAPK1
SCHEMBL12003903 0.85 MAPK1 (0.31) MAPK1TDP1NR1H4EPHX2
SCHEMBL28034975 0.83 EPHX2 (0.34) MAPK1TDP1NR1H4EPHX2TSHR
SCHEMBL9934694 0.81 PDE2A (0.35) HRH3PDE3BPDE3AP2RY12MAPK1
SCHEMBL9935303 0.81 PDE2A (0.35) HRH3PDE3BPDE3AP2RY12MAPK1
SCHEMBL9935473 0.81 PDE2A (0.35) HRH3PDE3BPDE3AP2RY12MAPK1
SCHEMBL9934560 0.80 ALDH1A1 (0.44) PDE3BPDE3AP2RY12PDE2APDK2
SCHEMBL28008156 0.80 NR1H4 (0.32) MAPK1NR1H4EPHX2

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 HRH3 427/4885PDE3B 2073/4885PDE3A 2299/4885
US-20120220772-A1 NOVEL 3-HYDROXY-5-ARYLISOXAZOLE DERIVATIVE GPR119, GPR27, NR0B1 HRH3 395/4885PDE3B 2033/4885PDE3A 2602/4885

“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.