SCHEMBL6566632

SCHEMBL6566632

CC(C)CN(Cc1cccc(C(=O)O)c1)C(=O)C(=O)Nc1ccc(-c2ccccc2S(=O)(=O)NC(C)(C)C)cc1

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
F10 P00742 12/20 0.43
F2 P00734 2/20 0.37
PRSS1 P07477 2/20 0.37
AGTR1 P30556 1/20 0.37
AGTR2 P50052 1/20 0.37
MMP3 P08254 1/20 0.37
OPRM1 P35372 1/20 0.37
OPRK1 P41145 1/20 0.37
GPR119 Q8TDV5 1/20 0.37
USP30 Q70CQ3 4/20 0.37
KCNH2 Q12809 1/20 0.37

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
SCHEMBL6565281 0.92 F10 (0.42) F10F2PRSS1MMP3GPR119
SCHEMBL6746019 0.92 F10 (0.44) F10F2PRSS1KCNH2
SCHEMBL6747892 0.91 F10 (0.48) F10F2PRSS1KCNH2
Acetic Acid SCHEMBL6746021 0.91 F10 (0.49) F10F2PRSS1KCNH2
SCHEMBL6750755 0.89 F10 (0.47) F10F2PRSS1MMP3
SCHEMBL6564612 0.89 F10 (0.55) F10F2PRSS1KCNH2
SCHEMBL6746061 0.87 USP30 (0.42) F10USP30
SCHEMBL6749855 0.84 MAPT (0.37) F10
SCHEMBL6747940 0.82 F10 (0.51) F10F2PRSS1KCNH2
SCHEMBL6749873 0.82 F10 (0.54) F10F2PRSS1KCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040220411-A1 Oxalic acid derivatives MERCK PATENT GMBH (DE) 2004-11-04 US disclosed
EP-1377543-A1 OXALIC ACID DERIVATIVES MERCK PATENT GmbH (DE) 2004-01-07 EP disclosed
WO-2002083630-A1 OXALIC ACID DERIVATIVES MERCK PATENT GMBH (DE) 2002-10-24 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-20040220411-A1 Oxalic acid derivatives F11, F2, F12 F10 6/4885F2 2/4885PRSS1 685/4885

“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.