SCHEMBL9935571

SCHEMBL9935571

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

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 5/20 0.39
PDE3B Q13370 3/20 0.39
PDE3A Q14432 3/20 0.39
P2RY12 Q9H244 1/20 0.39
THRA P10827 1/20 0.34
THRB P10828 1/20 0.34
ALDH1A1 P00352 2/20 0.34
TSHR P16473 2/20 0.33
HSD17B10 Q99714 2/20 0.33
FFAR1 O14842 1/20 0.33
FFAR4 Q5NUL3 1/20 0.33
NPC1 O15118 1/20 0.33
LMNA P02545 1/20 0.33
ALOX15 P16050 1/20 0.33
MAPK1 P28482 1/20 0.33
MCL1 Q07820 1/20 0.33
KDM4E B2RXH2 1/20 0.32
MEN1 O00255 1/20 0.32
PDE5A O76074 1/20 0.32
CYP1A2 P05177 1/20 0.32

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
SCHEMBL9934947 0.93 PDK2 (0.38) PDK2PDE3BPDE3AP2RY12THRA
SCHEMBL9934687 0.85 MCL1 (0.35) PDK2PDE3BPDE3AP2RY12ALDH1A1
SCHEMBL9934021 0.81 PDE3B (0.40) PDK2PDE3BPDE3AP2RY12ALDH1A1
SCHEMBL9935516 0.79 TP53 (0.37) TSHRLMNAALOX15MAPK1CYP1A2
SCHEMBL9934101 0.79 MCL1 (0.38) PDK2MCL1
SCHEMBL9934118 0.78 PDK2 (0.44) PDK2PDE3BPDE3AP2RY12TSHR
SCHEMBL9935244 0.78 ALDH1A1 (0.38) THRBALDH1A1TSHRHSD17B10LMNA
SCHEMBL9934465 0.77 SYK (0.32) LMNA
SCHEMBL9935356 0.77 NOS3 (0.33) PDK2ALOX15MAPK1
SCHEMBL9934861 0.77 PDK2 (0.38) PDK2ALDH1A1HSD17B10NPC1LMNA

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 3025/4885PDE3B 2073/4885PDE3A 2299/4885
US-20120220772-A1 NOVEL 3-HYDROXY-5-ARYLISOXAZOLE DERIVATIVE GPR119, GPR27, NR0B1 PDK2 2808/4885PDE3B 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.