SCHEMBL6078951

SCHEMBL6078951

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

nearest known ligand 0.49

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
F2 P00734 6/20 0.49
MASP2 O00187 2/20 0.40
AAK1 Q2M2I8 1/20 0.39
KMT2A Q03164 2/20 0.38
MEN1 O00255 1/20 0.38
APOBEC3A P31941 1/20 0.37
APOBEC3G Q9HC16 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.36
CYP3A4 P08684 1/20 0.36

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
SCHEMBL6078157 0.88 F2 (0.47) F2MASP2AAK1KMT2AMEN1
SCHEMBL6078817 0.80 F2 (0.54) F2MASP2AAK1KMT2AMEN1
SCHEMBL6078150 0.78 F2 (0.47) F2MASP2KMT2AMEN1APOBEC3A
SCHEMBL6078722 0.77 F2 (0.44) F2MASP2AAK1KMT2AMEN1
SCHEMBL23793414 0.76 MASP2 (0.59) F2MASP2KMT2AMEN1
SCHEMBL28577676 0.76 MASP2 (0.59) F2MASP2KMT2AMEN1
SCHEMBL6077693 0.76 F2 (0.53) F2MASP2KMT2AMEN1APOBEC3A
SCHEMBL6077615 0.76 F2 (0.60) F2
SCHEMBL6915431 0.76 F2 (0.49) F2CYP3A4
SCHEMBL6915417 0.76 F2 (0.49) F2CYP3A4

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.