SCHEMBL7144834

SCHEMBL7144834

CCOc1cc([C@@H](Nc2ccc(C(=N)NO)cc2)C(=O)O)c(F)cc1OCCO

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
F10 P00742 15/20 0.45
F7 P08709 15/20 0.45
PRSS1 P07477 13/20 0.45
F3 P13726 13/20 0.45
PRSS2 P07478 11/20 0.45
PRSS3 P35030 11/20 0.45
F2 P00734 11/20 0.44
KDM4E B2RXH2 1/20 0.37
GAA P10253 1/20 0.37
KMT2A Q03164 1/20 0.37
POLB P06746 1/20 0.36
CASP6 P55212 1/20 0.36
RET P07949 1/20 0.35

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
SCHEMBL7144841 1.00 F10 (0.45) F10F7PRSS1F3PRSS2
SCHEMBL27573411 0.99 F10 (0.44) F10F7PRSS1F3PRSS2
Hydrochloric Acid SCHEMBL7141543 0.98 F10 (0.43) F10F7PRSS1F3PRSS2
SCHEMBL7144200 0.92 F7 (0.40) F10F7PRSS1F3PRSS2
SCHEMBL7144190 0.92 F7 (0.40) F10F7PRSS1F3PRSS2
SCHEMBL7148404 0.92 F7 (0.40) F10F7PRSS1F3PRSS2
SCHEMBL5883027 0.91 F10 (0.47) F10F7PRSS1F3PRSS2
SCHEMBL7139637 0.89 F7 (0.58) F10F7PRSS1F3PRSS2
SCHEMBL7139643 0.89 F7 (0.58) F10F7PRSS1F3PRSS2
SCHEMBL7141690 0.89 F7 (0.58) F10F7PRSS1F3PRSS2

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6548694-B2 Anticoagulants HOFFMAN-LA ROCHE INC. 2003-04-15 US claimed
US-20020004608-A1 N-(4-carbamimidoyl-phenyl)-glycine derivatives F.HOFFMANN-LA ROCHE AG (CH) 2002-01-10 US claimed
US-6548694-B2 Anticoagulants HOFFMAN-LA ROCHE INC. 2003-04-15 US disclosed
EP-1289939-A1 PHENYLGLYCINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2003-03-12 EP disclosed
US-20020004608-A1 N-(4-carbamimidoyl-phenyl)-glycine derivatives F.HOFFMANN-LA ROCHE AG (CH) 2002-01-10 US disclosed
WO-2001090051-A1 PHENYLGLYCINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2001-11-29 WO 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-20020004608-A1 N-(4-carbamimidoyl-phenyl)-glycine derivatives GLS, SLC6A5, GLRA1 F10 546/4885F7 422/4885PRSS1 506/4885

“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.