SCHEMBL9934947

SCHEMBL9934947

Cc1[c]c(CO)cc(OCCC(=O)N(C)C)c1

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 4/20 0.38
MCL1 Q07820 1/20 0.36
CCNC P24863 1/20 0.34
CDK8 P49336 1/20 0.34
PDE3B Q13370 2/20 0.33
PDE3A Q14432 2/20 0.33
P2RY12 Q9H244 1/20 0.33
THRA P10827 1/20 0.33
THRB P10828 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
HSD17B10 Q99714 1/20 0.32
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
CACNA1B Q00975 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
SCHEMBL9935571 0.93 PDK2 (0.39) PDK2MCL1PDE3BPDE3AP2RY12
SCHEMBL9934101 0.83 MCL1 (0.38) PDK2MCL1L3MBTL1
SCHEMBL9934861 0.81 PDK2 (0.38) PDK2MCL1HSD17B10ALDH1A1
SCHEMBL9934687 0.80 MCL1 (0.35) PDK2MCL1PDE3BPDE3AP2RY12
SCHEMBL9935244 0.79 ALDH1A1 (0.38) MCL1THRBHSD17B10ALDH1A1
SCHEMBL9935572 0.78 PDK2 (0.43) PDK2CCNCCDK8PDE3BPDE3A
SCHEMBL9935516 0.77 TP53 (0.37)
SCHEMBL9934021 0.77 PDE3B (0.40) PDK2PDE3BPDE3AP2RY12ALDH1A1
SCHEMBL9934782 0.77
SCHEMBL9935342 0.77 NCF1 (0.35) PDE3BPDE3AP2RY12THRAKDM4E

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 3025/4885MCL1 4774/4885CCNC 4083/4885
US-20120220772-A1 NOVEL 3-HYDROXY-5-ARYLISOXAZOLE DERIVATIVE GPR119, GPR27, NR0B1 PDK2 2808/4885MCL1 4787/4885CCNC 3677/4885

“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.