SCHEMBL9934380

SCHEMBL9934380

Cc1[c]c(C)nc(OCCC(=O)N(C)C)n1

nearest known ligand 0.37

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.37
HSD17B10 Q99714 1/20 0.36
RXRA P19793 10/20 0.36
RXRB P28702 9/20 0.36
RXRG P48443 5/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
ALDH1A1 P00352 1/20 0.33
CCNC P24863 1/20 0.33
CDK8 P49336 1/20 0.33
CYP1A2 P05177 1/20 0.33
PDK2 Q15119 1/20 0.32
GAA P10253 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
SCHEMBL9933757 0.90 PDE3B (0.40) HTTHSD17B10RXRARXRBRXRG
SCHEMBL9935436 0.81 HSD17B10 (0.36) HTTHSD17B10RXRARXRBRXRG
SCHEMBL9933471 0.81 HTT (0.33) HTTRXRARXRBRXRGSMN1; SMN2
SCHEMBL9934288 0.77 MTNR1A (0.33) HTTRXRARXRBRXRGSMN1; SMN2
SCHEMBL9933823 0.76 PDE3B (0.35) HTTRXRARXRBRXRGSMN1; SMN2
SCHEMBL9933474 0.74 PDE3B (0.38) HTTHSD17B10RXRARXRBRXRG
SCHEMBL9933753 0.72 SLC29A1 (0.40) HTTHSD17B10ALDH1A1GAA
SCHEMBL9933895 0.71 PDE3B (0.41) HTTALDH1A1PDK2GAA
SCHEMBL9936236 0.70 SMN1; SMN2 (0.60) HTTHSD17B10SMN1; SMN2ALDH1A1CYP1A2
SCHEMBL9934908 0.69 IKBKB (0.31)

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 HTT 1725/4885HSD17B10 323/4885RXRA 208/4885
US-20120220772-A1 NOVEL 3-HYDROXY-5-ARYLISOXAZOLE DERIVATIVE GPR119, GPR27, NR0B1 HTT 2576/4885HSD17B10 418/4885RXRA 172/4885

“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.