SCHEMBL5855236

SCHEMBL5855236

CN(C)C[C@H](Cc1ccccc1)Nc1ncc(Cl)n(CC(=O)O)c1=O

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
F2 P00734 12/20 0.41
PRSS1 P07477 3/20 0.39
PRSS2 P07478 1/20 0.36
PRSS3 P35030 1/20 0.36
TP53 P04637 1/20 0.35
KDM4E B2RXH2 1/20 0.35
HDAC4 P56524 2/20 0.35
HDAC6 Q9UBN7 2/20 0.35
BRD4 O60885 1/20 0.34
MEN1 O00255 1/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
KMT2A Q03164 1/20 0.34

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
SCHEMBL5855244 1.00 F2 (0.41) F2PRSS1PRSS2PRSS3TP53
SCHEMBL5855365 0.89 MEN1 (0.46) F2PRSS1TP53KDM4EMEN1
SCHEMBL5855369 0.89 MEN1 (0.46) F2PRSS1TP53KDM4EMEN1
SCHEMBL7257938 0.86 F2 (0.38) F2PRSS1PRSS2PRSS3
SCHEMBL7257943 0.79 ATM (0.41) F2PRSS1PRSS2PRSS3TP53
SCHEMBL7257941 0.79 ATM (0.41) F2PRSS1PRSS2PRSS3TP53
SCHEMBL5855166 0.77 MEN1 (0.47) F2PRSS1PRSS2PRSS3KDM4E
SCHEMBL5855156 0.77 MEN1 (0.47) F2PRSS1PRSS2PRSS3KDM4E
SCHEMBL7259973 0.77 CASP1 (0.38) F2PRSS1PRSS2PRSS3
SCHEMBL7259971 0.77 CASP1 (0.38) F2PRSS1PRSS2PRSS3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7026324-B2 Thrombin inhibitors MERCK & CO., INC. (US) 2006-04-11 US disclosed
US-20040097730-A1 Thrombin inhibitors MERCK & CO., INC. 2004-05-20 US disclosed
EP-1359913-A1 THROMBIN INHIBITORS Merck & Co., Inc. (US) 2003-11-12 EP disclosed
WO-2002064140-A1 THROMBIN INHIBITORS MERCK & CO., INC. (US) 2002-08-22 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-20040097730-A1 Thrombin inhibitors F3, F2, SERPINC1 F2 2/4885PRSS1 101/4885PRSS2 157/4885

“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.