SCHEMBL9934687

SCHEMBL9934687

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

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 1/20 0.35
PLA2G2A P14555 3/20 0.34
ALDH1A1 P00352 1/20 0.34
MAPT P10636 1/20 0.34
HPGD P15428 1/20 0.34
TSHR P16473 1/20 0.34
PDE3B Q13370 2/20 0.34
PDE3A Q14432 2/20 0.34
PDK2 Q15119 2/20 0.34
P2RY12 Q9H244 1/20 0.34
F2 P00734 1/20 0.33
FFAR1 O14842 1/20 0.33
FFAR4 Q5NUL3 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
LTA4H P09960 1/20 0.33

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
SCHEMBL9934101 0.94 MCL1 (0.38) MCL1PLA2G2APDK2F2LTA4H
SCHEMBL9934021 0.85 PDE3B (0.40) ALDH1A1HPGDPDE3BPDE3APDK2
SCHEMBL9935571 0.85 PDK2 (0.39) MCL1ALDH1A1HPGDTSHRPDE3B
SCHEMBL9935356 0.83 NOS3 (0.33) PDK2F2
SCHEMBL9935516 0.83 TP53 (0.37) TSHR
SCHEMBL9935244 0.81 ALDH1A1 (0.38) MCL1ALDH1A1TSHRKMT2A
SCHEMBL9934944 0.80 PDIA6 (0.35) PLA2G2ATSHRLTA4H
SCHEMBL9934947 0.80 PDK2 (0.38) MCL1ALDH1A1PDE3BPDE3APDK2
SCHEMBL9934861 0.80 PDK2 (0.38) MCL1ALDH1A1PDK2KMT2A
SCHEMBL9934297 0.79 L3MBTL1 (0.51) ALDH1A1TSHRPDK2

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 MCL1 4774/4885PLA2G2A 4226/4885ALDH1A1 2875/4885
US-20120220772-A1 NOVEL 3-HYDROXY-5-ARYLISOXAZOLE DERIVATIVE GPR119, GPR27, NR0B1 MCL1 4787/4885PLA2G2A 3968/4885ALDH1A1 2867/4885

“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.