SCHEMBL21362003

SCHEMBL21362003

CCCCCCCC(C)(CCCCCC)NS(=O)(=O)NC

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 3/20 0.38
CA1 P00915 3/20 0.36
CA2 P00918 3/20 0.36
EPHX1 P07099 1/20 0.35
CA12 O43570 1/20 0.34
CA7 P43166 1/20 0.34
CA14 Q9ULX7 1/20 0.34
GGPS1 O95749 6/20 0.34
FDPS P14324 8/20 0.33
FAAH O00519 2/20 0.33

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
SCHEMBL19257094 0.80 EPHX1 (0.37) PPARACA1CA2EPHX1GGPS1
SCHEMBL19352779 0.80 EPHX1 (0.37) PPARACA1CA2EPHX1GGPS1
SCHEMBL19271990 0.78 EPHX1 (0.36) PPARACA1CA2EPHX1GGPS1
SCHEMBL21308434 0.78 PPARA (0.37) PPARACA1CA2EPHX1CA12
SCHEMBL24926317 0.76 FAAH (0.36) PPARACA2EPHX1GGPS1FAAH
SCHEMBL19257453 0.76 GRIA1 (0.39) PPARACA2EPHX1GGPS1FDPS
SCHEMBL19257391 0.76 HPGD (0.36) PPARAEPHX1GGPS1FDPSFAAH
SCHEMBL19271944 0.74 HPGD (0.35) PPARAEPHX1GGPS1FDPSFAAH
SCHEMBL18431222 0.74 EPHX1 (0.33) PPARAEPHX1GGPS1FDPSFAAH
SCHEMBL27062672 0.73 FAAH (0.33) PPARACA2EPHX1GGPS1FAAH

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-20190284192-A1 NITROGENOUS MACROCYCLIC COMPOUND, PREPARATION METHOD THEREFOR, PHARMACEUTICAL COMPOSITION AND APPLICATION THEREOF SHANDONG LUOXIN PHARMACEUTICAL GROUP STOCK CO., LTD. (CN) 2019-09-19 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-20190284192-A1 NITROGENOUS MACROCYCLIC COMPOUND, PREPARATION METHOD THEREFOR, PHARMACEUTICAL COMPOSITION AND APPLICATION THEREOF MYC, BRD1, BRD3 PPARA 2378/4885CA1 4734/4885CA2 4677/4885

“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.