SCHEMBL6787285

SCHEMBL6787285

CC[C@@H](C)NC(=O)c1cc(N)cc(-c2cnc(NC(C)(C)C)c(=O)n2CC(=O)O)c1

nearest known ligand 0.57

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
F7 P08709 13/20 0.57
MAPK1 P28482 1/20 0.35
TSHR P16473 1/20 0.34
RECQL P46063 1/20 0.34
F3 P13726 2/20 0.34
F2 P00734 1/20 0.34
EGLN1 Q9GZT9 3/20 0.34
PRSS1 P07477 1/20 0.33
SYK P43405 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
SCHEMBL6794047 0.89 F7 (0.70) F7MAPK1TSHRRECQLF3
SCHEMBL6791991 0.86 F7 (0.44) F7MAPK1TSHRRECQLF3
SCHEMBL6791974 0.86 F7 (0.44) F7MAPK1TSHRRECQLF3
SCHEMBL6791001 0.83 F7 (0.69) F7F3F2PRSS1
SCHEMBL6790994 0.83 F7 (0.69) F7F3F2PRSS1
SCHEMBL8360232 0.78 F7 (0.63) F7F3F2PRSS1
SCHEMBL8360266 0.78 F7 (0.63) F7F3F2PRSS1
SCHEMBL8363188 0.76 F7 (0.55) F7F3F2PRSS1SYK
SCHEMBL8363213 0.76 F7 (0.57) F7F3PRSS1SYK
SCHEMBL8363209 0.74 F7 (0.58) F7F3F2PRSS1SYK

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-20040106626-A1 6-Membered unsaturated heterocyclic compounds useful for selective inhibition of the coagulation cascade PHARMACIA CORPORATION 2004-06-03 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-20040106626-A1 6-Membered unsaturated heterocyclic compounds useful for selective inhibition of the coagulation cascade TFPI, F2, TFPI2 F7 20/4885MAPK1 2261/4885TSHR 4096/4885

“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.