SCHEMBL2916895

SCHEMBL2916895

COC(=O)CCC1c2ccc(OCc3ccccc3)cc2CCCN1C(=O)OC(C)(C)C

nearest known ligand 0.57

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GHSR Q92847 13/20 0.57
MMP1 P03956 2/20 0.44
MMP2 P08253 2/20 0.44
MMP7 P09237 2/20 0.44
MMP9 P14780 2/20 0.44
MMP12 P39900 2/20 0.44
MMP14 P50281 2/20 0.44
MMP15 P51511 2/20 0.44
MMP16 P51512 2/20 0.44
MMP26 Q9NRE1 2/20 0.44
GRIN1 Q05586 1/20 0.43
GRIN2B Q13224 1/20 0.43

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
SCHEMBL2915023 0.85 ESR2 (0.43) GHSR
SCHEMBL2916500 0.84 GHSR (0.41) GHSR
SCHEMBL3069044 0.84 GHSR (0.63) GHSRGRIN1GRIN2B
SCHEMBL3056802 0.82 GHSR (0.65) GHSRGRIN1GRIN2B
SCHEMBL13091476 0.80 GHSR (0.37) GHSR
SCHEMBL3083660 0.80 DRD2 (0.43) GHSR
SCHEMBL7120537 0.79 GHSR (0.73) GHSRMMP1MMP2MMP7MMP9
SCHEMBL14862864 0.79 GHSR (0.73) GHSRMMP1MMP2MMP7MMP9
SCHEMBL3072393 0.79 GHSR (0.73) GHSRMMP1MMP2MMP7MMP9
SCHEMBL2917328 0.78 GHSR (0.36) GHSR

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100273770-A1 1, 2, 4 -OXADIAZOLE COMPOUNDS FOR THE TREATMENT OF AUTOIMMUNE DISEASES GLAXO GROUP LIMITED (GB) 2010-10-28 US disclosed
US-20100273770-A1 1, 2, 4 -OXADIAZOLE COMPOUNDS FOR THE TREATMENT OF AUTOIMMUNE DISEASES GLAXO GROUP LIMITED (GB) 2010-10-28 US disclosed
US-20100273770-A1 1, 2, 4 -OXADIAZOLE COMPOUNDS FOR THE TREATMENT OF AUTOIMMUNE DISEASES GLAXO GROUP LIMITED (GB) 2010-10-28 US disclosed
EP-2220077-A1 1, 2, 4 -OXADIAZOLE COMPOUNDS FOR THE TREATMENT OF AUTOIMMUNE DISEASES Glaxo Group Limited (GB) 2010-08-25 EP disclosed
WO-2009080730-A1 1, 2, 4 -OXADIAZOLE COMPOUNDS FOR THE TREATMENT OF AUTOIMMUNE DISEASES GLAXO GROUP LIMITED (GB) 2009-07-02 WO 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 (1 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-20100273770-A1 1, 2, 4 -OXADIAZOLE COMPOUNDS FOR THE TREATMENT OF AUTOIMMUNE DISEASES SSB, RORC, OXA1L GHSR 3186/4885MMP1 3198/4885MMP2 4317/4885

“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.