SCHEMBL6078680

SCHEMBL6078680

CC[C@H](N[C@H](CC(C)(C)C)C(N)=O)C(=O)NCc1cc(Cl)ccc1-n1cnnn1

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MASP2 O00187 1/20 0.51
CYP3A4 P08684 2/20 0.49
F2 P00734 15/20 0.47
F11 P03951 3/20 0.44
KLKB1 P03952 2/20 0.42
F9 P00740 1/20 0.42
F10 P00742 1/20 0.42
PLAT P00750 1/20 0.42
PRSS1 P07477 1/20 0.42
F7 P08709 1/20 0.42
TBXA2R P21731 1/20 0.42
PRSS3 P35030 1/20 0.42

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
SCHEMBL6078150 0.86 F2 (0.47) MASP2F2
SCHEMBL6078688 0.86 MASP2 (0.53) MASP2CYP3A4F2F11KLKB1
SCHEMBL6078787 0.82 F2 (0.57) MASP2CYP3A4F2F11KLKB1
SCHEMBL6078779 0.82 F2 (0.57) MASP2CYP3A4F2F11KLKB1
SCHEMBL6078556 0.80 MASP2 (0.61) MASP2CYP3A4F2F11KLKB1
SCHEMBL23490530 0.78 MASP2 (0.66) MASP2CYP3A4F2F11KLKB1
SCHEMBL6078904 0.78 MASP2 (0.57) MASP2CYP3A4F2F11KLKB1
Hydrochloric Acid SCHEMBL23452306 0.77 MASP2 (0.65) MASP2CYP3A4F2F11KLKB1
Hydrochloric Acid SCHEMBL23452304 0.77 MASP2 (0.65) MASP2CYP3A4F2F11KLKB1
SCHEMBL28593491 0.76 MASP2 (0.59) MASP2CYP3A4F2F11KLKB1

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 MASP2 673/4885CYP3A4 2153/4885F2 1/4885

“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.