SCHEMBL6078722

SCHEMBL6078722

CC[C@@H](C(=O)NCc1cc(Cl)ccc1-n1cncn1)N(C(=O)OC(C)(C)C)C(=O)[C@H](N)CC(C)(C)C

nearest known ligand 0.44

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
F2 P00734 5/20 0.44
MASP2 O00187 1/20 0.36
AAK1 Q2M2I8 1/20 0.35
KMT2A Q03164 2/20 0.34
MEN1 O00255 1/20 0.34
L3MBTL1 Q9Y468 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
SCHEMBL6078242 0.88 MASP2 (0.49) F2MASP2
SCHEMBL6078157 0.80 F2 (0.47) F2MASP2AAK1KMT2AMEN1
SCHEMBL6078817 0.78 F2 (0.54) F2MASP2AAK1KMT2AMEN1
SCHEMBL6077685 0.77 F2 (0.53) F2MASP2KMT2AMEN1L3MBTL1
SCHEMBL6078951 0.77 F2 (0.49) F2MASP2AAK1KMT2AMEN1
SCHEMBL6078150 0.75 F2 (0.47) F2MASP2KMT2AMEN1L3MBTL1
SCHEMBL6077859 0.71 F2 (0.56) F2MASP2KMT2AMEN1L3MBTL1
SCHEMBL6077876 0.71 F2 (0.56) F2MASP2KMT2AMEN1L3MBTL1
SCHEMBL6077693 0.71 F2 (0.53) F2MASP2KMT2AMEN1L3MBTL1
SCHEMBL6077615 0.70 F2 (0.60) F2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7144899-B2 Thrombin inhibitors MERCK & CO., INC. (US) 2006-12-05 US disclosed
US-20040073025-A1 Thrombin inhibitors MERCK SHARP & DOHME CORP. 2004-04-15 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-20040073025-A1 Thrombin inhibitors F2, F11, F10 F2 1/4885MASP2 673/4885AAK1 3658/4885

“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.