SCHEMBL6077797

SCHEMBL6077797

CCO[C@@H](C(=O)NCc1ccc(C(=N)N)cc1)N1Cc2c(F)cccc2C1=O

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ST14 Q9Y5Y6 1/20 0.39
KLKB1 P03952 1/20 0.39
LMNA P02545 1/20 0.38
VHL P40337 1/20 0.38
F2 P00734 11/20 0.38
F10 P00742 3/20 0.38
F7 P08709 2/20 0.38
PRSS1 P07477 1/20 0.38
MASP2 O00187 1/20 0.37
ITGB3 P05106 2/20 0.36
ITGA2B P08514 2/20 0.36
F3 P13726 1/20 0.36
PROC P04070 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
SCHEMBL6077787 1.00 ST14 (0.39) ST14KLKB1LMNAVHLF2
Acetic Acid SCHEMBL6078613 0.97 F2 (0.40) ST14KLKB1LMNAVHLF2
SCHEMBL6077857 0.90 ST14 (0.40) ST14KLKB1LMNAF2F10
SCHEMBL6077874 0.90 ST14 (0.40) ST14KLKB1LMNAF2F10
SCHEMBL6078142 0.89 ST14 (0.41) ST14F2F10F7PRSS1
SCHEMBL6078131 0.89 ST14 (0.41) ST14F2F10F7PRSS1
Acetic Acid SCHEMBL6079132 0.88 F2 (0.40) ST14LMNAF2F10F7
Acetic Acid SCHEMBL6079562 0.87 F2 (0.41) ST14F2F10F7PRSS1
SCHEMBL6079438 0.85 F10 (0.38) KLKB1VHLF2F10F7
SCHEMBL6079462 0.85 F10 (0.38) KLKB1VHLF2F10F7

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-7056932-B2 Heterocyclyl substituted 1-alkoxy acetic acid amides HOFFMAN-LA ROCHE INC. (US) 2006-06-06 US disclosed
US-20050137168-A1 Heterocyclyl substituted 1-alkoxy acetic acid amides HOFFMANN-LA ROCHE INC. 2005-06-23 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-20050137168-A1 Heterocyclyl substituted 1-alkoxy acetic acid amides F12, TFPI, F11 ST14 858/4885KLKB1 854/4885LMNA 2335/4885

“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.