SCHEMBL7527900

SCHEMBL7527900

CCOC(=O)Cc1nc(NCC(F)(F)c2ccccn2)c(=O)[nH]c1Cl

nearest known ligand 0.42

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
F2 P00734 18/20 0.42
PRSS1 P07477 3/20 0.42
PRSS2 P07478 2/20 0.41
PRSS3 P35030 2/20 0.41
KDM4E B2RXH2 1/20 0.39
LMNA P02545 1/20 0.39
ALDH1A1 P00352 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39

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
SCHEMBL6963877 0.87 F2 (0.47) F2PRSS1PRSS2PRSS3
SCHEMBL7404140 0.81 F2 (0.50) F2PRSS1PRSS2PRSS3
SCHEMBL7408227 0.79 F2 (0.46) F2PRSS1PRSS2PRSS3
SCHEMBL7409009 0.78 F2 (0.43) F2PRSS1PRSS2PRSS3LMNA
SCHEMBL7408144 0.78 F2 (0.51) F2PRSS1PRSS2PRSS3
SCHEMBL7449943 0.78 F2 (0.53) F2PRSS1PRSS2PRSS3
SCHEMBL6986633 0.77 ALDH1A1 (0.42) F2PRSS1PRSS2PRSS3KDM4E
SCHEMBL5855071 0.73 F2 (0.68) F2PRSS1
SCHEMBL7409413 0.73 CNR1 (0.39) F2PRSS1PRSS2PRSS3LMNA
SCHEMBL7447096 0.72 ROCK2 (0.37) KDM4ELMNAALDH1A1SMN1; SMN2

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-20020103379-A1 Process for making a thrombin inhibitor MERCK SHARP & DOHME LTD. (GB) 2002-08-01 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-20020103379-A1 Process for making a thrombin inhibitor TFPI, TFPI2, F2 F2 3/4885PRSS1 175/4885PRSS2 100/4885

“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.