SCHEMBL9934953

SCHEMBL9934953

OCCCOc1cc[c]c(CO)c1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 4/20 0.35
PDE2A O00408 3/20 0.35
PDE3B Q13370 2/20 0.35
PDE3A Q14432 2/20 0.35
P2RY12 Q9H244 2/20 0.35
ALDH1A1 P00352 1/20 0.34
RECQL P46063 1/20 0.34
SLC6A2 P23975 2/20 0.32
SLC6A4 P31645 2/20 0.32
NR1I2 O75469 1/20 0.32
SLC6A3 Q01959 1/20 0.32
XDH P47989 1/20 0.32
FGFR1 P11362 1/20 0.32
SRC P12931 1/20 0.32
CYP2D6 P10635 1/20 0.31
KMT2A Q03164 1/20 0.31
HRH3 Q9Y5N1 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
CA12 O43570 1/20 0.31
CA1 P00915 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
SCHEMBL9934560 0.91 ALDH1A1 (0.44) PDK2PDE2APDE3BPDE3AP2RY12
SCHEMBL9935744 0.86 PDK2 (0.36) PDK2PRSS1
SCHEMBL9933275 0.82 PDK2 (0.40) PDK2PDE3BPDE3AP2RY12PRSS1
SCHEMBL9935081 0.80 NCF1 (0.41) PDE3BPDE3AP2RY12ALDH1A1KMT2A
SCHEMBL9935083 0.80 PDIA6 (0.36) ALDH1A1RECQLHRH3SMN1; SMN2CA12
SCHEMBL9935104 0.80 FFAR1 (0.40) HRH3
SCHEMBL9934379 0.79 HRH3 (0.34) PDK2PDE2APDE3BPDE3AP2RY12
SCHEMBL9934500 0.79 HRH3 (0.35) PDE2ACYP2D6HRH3PDE10A
SCHEMBL9934457 0.79 PDK2 (0.40) PDK2PDE3BPDE3AP2RY12
SCHEMBL9935226 0.79 NR1I2 (0.37) PDK2PDE2APDE3BPDE3AP2RY12

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 6 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-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 PDK2 3025/4885PDE2A 3075/4885PDE3B 2073/4885
US-20120220772-A1 NOVEL 3-HYDROXY-5-ARYLISOXAZOLE DERIVATIVE GPR119, GPR27, NR0B1 PDK2 2808/4885PDE2A 3384/4885PDE3B 2033/4885

“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.