SCHEMBL9897504

SCHEMBL9897504

CC(C)(C)OC(=O)Cc1ccc(S(C)(=O)=O)cc1

nearest known ligand 0.46

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 13/20 0.46
EPHX2 P34913 1/20 0.44
NR1H4 Q96RI1 1/20 0.44
MTNR1A P48039 1/20 0.43
MTNR1B P49286 1/20 0.43
ENPP2 Q13822 1/20 0.41

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
SCHEMBL23930060 0.86 CA2 (0.41) GPR119MTNR1AMTNR1B
SCHEMBL8934772 0.85 MTNR1A (0.42) GPR119MTNR1AMTNR1B
SCHEMBL27572251 0.85 CA2 (0.55)
SCHEMBL1096091 0.81 CYP4F2 (0.58) EPHX2NR1H4ENPP2
SCHEMBL19085086 0.79 MTNR1A (0.47) MTNR1AMTNR1B
SCHEMBL21554546 0.79 CA2 (0.50) EPHX2NR1H4MTNR1AMTNR1B
SCHEMBL1283948 0.79 CA2 (0.50) MTNR1AMTNR1B
SCHEMBL7517689 0.79 HPGD (0.50) MTNR1AMTNR1B
SCHEMBL2396163 0.78 ENPP2 (0.50) EPHX2NR1H4ENPP2
SCHEMBL2665963 0.78 LMNA (0.56)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120149718-A1 Amido Compounds BROTHERTON-PLEISS CHRISTINE E (US) 2012-06-14 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 (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-20120149718-A1 Amido Compounds P2RX7, P2RX3, P2RX2 GPR119 56/4885EPHX2 1765/4885NR1H4 285/4885

“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.