SCHEMBL9933494

SCHEMBL9933494

Cc1[c]ccc(OCCC(=O)N(C)C)c1F

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CCNC P24863 1/20 0.38
CDK8 P49336 1/20 0.38
PDK2 Q15119 3/20 0.36
KDM4E B2RXH2 3/20 0.34
THRA P10827 1/20 0.33
THRB P10828 1/20 0.33
LMNA P02545 2/20 0.31
QPCT Q16769 1/20 0.31
SMN1; SMN2 Q16637 2/20 0.30
ALDH1A1 P00352 1/20 0.30
HPGD P15428 1/20 0.30
HSD17B10 Q99714 1/20 0.30
LTA4H P09960 1/20 0.30
LTB4R Q15722 1/20 0.30
LTB4R2 Q9NPC1 1/20 0.30
TSHR P16473 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
SCHEMBL9934766 0.93 PDK2 (0.37) CCNCCDK8PDK2KDM4ETHRA
SCHEMBL9934026 0.83 LMNA (0.36) PDK2LMNASMN1; SMN2LTA4HTSHR
SCHEMBL9934233 0.81 LMNA (0.38) PDK2LMNASMN1; SMN2
SCHEMBL9936064 0.80 MEN1 (0.38) PDK2KDM4ETHRATHRBLMNA
SCHEMBL9934570 0.77 IDO1 (0.34) ALDH1A1
SCHEMBL9933864 0.77 KDM4E (0.39) PDK2KDM4ELMNAALDH1A1HPGD
SCHEMBL9935540 0.76 TUBB1 (0.33) ALDH1A1
SCHEMBL9934248 0.75
SCHEMBL9934644 0.75 MTNR1A (0.50) KDM4ESMN1; SMN2ALDH1A1HPGDHSD17B10
SCHEMBL9934084 0.75 NCF1 (0.35) LMNAALDH1A1

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 CCNC 4083/4885CDK8 2419/4885PDK2 3025/4885
US-20120220772-A1 NOVEL 3-HYDROXY-5-ARYLISOXAZOLE DERIVATIVE GPR119, GPR27, NR0B1 CCNC 3677/4885CDK8 1970/4885PDK2 2808/4885

“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.