SCHEMBL4868218

SCHEMBL4868218

NCCCCC(NC(=O)OCc1ccccc1)C(=O)C(OC(=O)C(F)(F)F)n1nnc(Sc2c(Cl)cccc2Cl)n1

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PRSS1 P07477 10/20 0.39
PRSS2 P07478 10/20 0.39
PRSS3 P35030 10/20 0.39
TPSAB1 Q15661 10/20 0.39
DPP4 P27487 2/20 0.39
DPP8 Q6V1X1 2/20 0.37
SIRT2 Q8IXJ6 1/20 0.37
SIRT1 Q96EB6 1/20 0.37
SIRT3 Q9NTG7 1/20 0.37
ITGB3 P05106 4/20 0.36
ITGA2B P08514 4/20 0.36
DPP7 Q9UHL4 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
SCHEMBL4871099 0.86 DPP4 (0.38) PRSS1PRSS2PRSS3TPSAB1DPP4
Trifluoroacetic Acid SCHEMBL4868210 0.82 PRSS1 (0.40) PRSS1PRSS2PRSS3TPSAB1DPP4
SCHEMBL6346814 0.80 DPP4 (0.43) PRSS1PRSS2PRSS3TPSAB1DPP4
Trifluoroacetic Acid SCHEMBL4871084 0.76 DPP4 (0.40) PRSS1PRSS2PRSS3TPSAB1DPP4
SCHEMBL6345894 0.73 DPP4 (0.42) PRSS1PRSS2PRSS3TPSAB1DPP4
Trifluoroacetic Acid SCHEMBL16494893 0.71 ITGB3 (0.52) PRSS1PRSS2PRSS3TPSAB1DPP4
Trifluoroacetic Acid SCHEMBL6759266 0.70 ITGB3 (0.63) PRSS1PRSS2PRSS3TPSAB1DPP4
Trifluoroacetic Acid SCHEMBL29817369 0.70 ITGB3 (0.63) PRSS1PRSS2PRSS3TPSAB1DPP4
SCHEMBL7687232 0.69 CASP1 (0.54)
SCHEMBL16494716 0.67 ITGB3 (0.53) PRSS1PRSS2PRSS3TPSAB1DPP4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7390804-B2 N-containing five-membered ring compounds and pharmaceutical agents comprising the same as active ingredient ONO PHARMACEUTICAL CO., LTD. (JP) 2008-06-24 US disclosed
US-20050164954-A1 N-containing five-membered ring compounds and pharmaceutical agents comprising the same as active ingredient ONO PHARMACEUTICAL CO., LTD. 2005-07-28 US disclosed
US-6900207-B2 N-containing five-membered ring compounds and pharmaceutical agents comprising the same as active ingredient ONO PHARMACEUTICAL CO., LTD. (JP) 2005-05-31 US disclosed
US-20030153508-A1 Nitrogen-containing 5-membered cyclic compounds and drugs containing these compounds as the active ingredient ONO PHARMACEUTICAL CO., LTD. (JP) 2003-08-14 US disclosed
EP-1254901-A1 NITROGEN-CONTAINING 5-MEMBERED CYCLIC COMPOUNDS AND DRUGS CONTAINING THESE COMPOUNDS AS THE ACTIVE INGREDIENT ONO PHARMACEUTICAL CO., LTD. (JP) 2002-11-06 EP 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 (2 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-20050164954-A1 N-containing five-membered ring compounds and pharmaceutical agents comprising the same as active ingredient ACIN1, CASP7, CASP10 PRSS1 11/4885PRSS2 9/4885PRSS3 25/4885
US-20030153508-A1 Nitrogen-containing 5-membered cyclic compounds and drugs containing these compounds as the active ingredient ACIN1, CASP7, CASP10 PRSS1 15/4885PRSS2 25/4885PRSS3 32/4885

“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.