SCHEMBL6077467

SCHEMBL6077467

CCO[C@@H](C(=O)NCc1ccc(C(=N)N)cc1NCc1ccccc1F)N1Cc2c(C)cccc2C1=O

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
F10 P00742 4/20 0.36
KLKB1 P03952 2/20 0.35
SLC1A2 P43004 1/20 0.35
F2 P00734 2/20 0.33
PRSS1 P07477 1/20 0.33
ALDH1A1 P00352 2/20 0.32
LMNA P02545 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
BDKRB1 P46663 3/20 0.32
TP53 P04637 1/20 0.31
MAPT P10636 2/20 0.31
PDE1A P54750 1/20 0.31
PDE1B Q01064 1/20 0.31
PDE1C Q14123 1/20 0.31
THRB P10828 1/20 0.31

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
SCHEMBL6077453 1.00 F10 (0.36) F10KLKB1SLC1A2F2PRSS1
Acetic Acid SCHEMBL6077426 0.98 F10 (0.35) F10KLKB1SLC1A2F2PRSS1
SCHEMBL6077854 0.95 F10 (0.37) F10KLKB1SLC1A2F2PRSS1
SCHEMBL6077844 0.95 F10 (0.37) F10KLKB1SLC1A2F2PRSS1
Acetic Acid SCHEMBL6078407 0.93 F10 (0.36) F10KLKB1SLC1A2F2PRSS1
SCHEMBL6079242 0.91 F10 (0.34) F10KLKB1F2PRSS1LMNA
SCHEMBL6079218 0.91 F10 (0.34) F10KLKB1F2PRSS1LMNA
SCHEMBL6030930 0.89 F10 (0.36) F10KLKB1SLC1A2F2PRSS1
SCHEMBL6079048 0.89 F10 (0.36) F10KLKB1SLC1A2F2PRSS1
Acetic Acid SCHEMBL6076473 0.88 F10 (0.35) F10F2PRSS1MAPTTHRB

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 F10 8/4885KLKB1 854/4885SLC1A2 2506/4885

“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.