SCHEMBL6077500

SCHEMBL6077500

CCOC(C(=O)NCc1ccc(C(=N)NO)cc1OCC(N)=O)n1cccc(Nc2ccccc2)c1=O

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
F10 P00742 5/20 0.42
F2 P00734 4/20 0.33
PRSS1 P07477 3/20 0.33
F7 P08709 2/20 0.33
POLB P06746 2/20 0.32
TP53 P04637 2/20 0.32
THRB P10828 1/20 0.32
CASP1 P29466 2/20 0.31
LMNA P02545 1/20 0.31
MAPT P10636 1/20 0.31
OPRK1 P41145 1/20 0.31
MEN1 O00255 1/20 0.30
ABL1 P00519 1/20 0.30
KMT2A Q03164 1/20 0.30
RIN1 Q13671 1/20 0.30
MASP2 O00187 1/20 0.30

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
SCHEMBL6031766 1.00 F10 (0.42) F10F2PRSS1F7POLB
Acetic Acid SCHEMBL6028097 0.92 F10 (0.47) F10F2PRSS1F7POLB
SCHEMBL6078414 0.86 TP53 (0.36) F2PRSS1TP53CASP1MAPT
SCHEMBL6028232 0.86 F10 (0.36) F10F2PRSS1TP53CASP1
SCHEMBL6029293 0.86 TP53 (0.36) F2PRSS1TP53CASP1MAPT
SCHEMBL6028237 0.86 F10 (0.36) F10F2PRSS1TP53CASP1
SCHEMBL6031605 0.81 PRSS1 (0.44) F10F2PRSS1F7TP53
SCHEMBL6079216 0.81 PRSS1 (0.44) F10F2PRSS1F7TP53
SCHEMBL6029310 0.80 OPRK1 (0.34) MAPTOPRK1MEN1KMT2A
SCHEMBL6029315 0.80 OPRK1 (0.34) MAPTOPRK1MEN1KMT2A

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 4 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 claimed
US-20050137168-A1 Heterocyclyl substituted 1-alkoxy acetic acid amides HOFFMANN-LA ROCHE INC. 2005-06-23 US claimed
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 8/4885F2 7/4885PRSS1 311/4885

“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.