SCHEMBL6078142

SCHEMBL6078142

CCO[C@@H](C(=O)NCc1ccc(C(=N)N)cc1)N1Cc2c(F)ccc(F)c2C1=O

nearest known ligand 0.41

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ST14 Q9Y5Y6 1/20 0.41
F2 P00734 19/20 0.38
F10 P00742 3/20 0.37
F7 P08709 5/20 0.37
PRSS1 P07477 1/20 0.37
MASP2 O00187 1/20 0.36
F3 P13726 4/20 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
SCHEMBL6078131 1.00 ST14 (0.41) ST14F2F10F7PRSS1
Acetic Acid SCHEMBL6079562 0.97 F2 (0.41) ST14F2F10F7PRSS1
SCHEMBL6077797 0.89 ST14 (0.39) ST14F2F10F7PRSS1
SCHEMBL6077787 0.89 ST14 (0.39) ST14F2F10F7PRSS1
Acetic Acid SCHEMBL6078613 0.87 F2 (0.40) ST14F2F10F7PRSS1
SCHEMBL6031886 0.85 ST14 (0.45) ST14F2F10F7PRSS1
SCHEMBL6078724 0.85 ST14 (0.45) ST14F2F10F7PRSS1
Acetic Acid SCHEMBL6077639 0.82 ST14 (0.43) ST14F2F10F7PRSS1
SCHEMBL6077398 0.82 ST14 (0.41) ST14F2F10F7PRSS1
SCHEMBL6077410 0.82 ST14 (0.41) ST14F2F10F7PRSS1

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 858/4885F2 7/4885F10 8/4885

“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.