SCHEMBL5885677

SCHEMBL5885677

CCOC(=O)c1ccc(CN(CC#Cc2ccc(-c3ccccc3S(N)(=O)=O)cc2)c2cccc(C(=N)N)c2)cc1

nearest known ligand 0.55

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
F2 P00734 15/20 0.55
PRSS1 P07477 15/20 0.55
PRSS2 P07478 14/20 0.55
PRSS3 P35030 14/20 0.55
F10 P00742 7/20 0.54
PLG P00747 2/20 0.54
PLAT P00750 2/20 0.54
F7 P08709 2/20 0.54

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
SCHEMBL5885767 0.88 F2 (0.57) F2PRSS1PRSS2PRSS3F10
Hydrochloric Acid SCHEMBL5885688 0.87 F2 (0.56) F2PRSS1PRSS2PRSS3F10
SCHEMBL5886150 0.80 F2 (0.54) F2PRSS1PRSS2PRSS3F10
Hydrochloric Acid SCHEMBL5886180 0.79 F2 (0.53) F2PRSS1PRSS2PRSS3F10
SCHEMBL5885775 0.79 USP30 (0.37) F2PRSS1PRSS2PRSS3F10
SCHEMBL5885744 0.76 ACACB (0.40) F2PRSS1PRSS2PRSS3F10
Hydrochloric Acid SCHEMBL5885692 0.76 ACACB (0.40) F2PRSS1PRSS2PRSS3F10
SCHEMBL5885649 0.74 F2 (0.77) F2PRSS1PRSS2PRSS3F10
Hydrochloric Acid SCHEMBL5885248 0.73 F2 (0.76) F2PRSS1PRSS2PRSS3F10
SCHEMBL7059603 0.73 PRSS1 (0.62) F2PRSS1PRSS2PRSS3F10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030045712-A1 Substituted aryl and heteroaryl derivatives, the preparation thereof and the use therof as pharmaceutical compositions BOEHRINGER INGELHEIM PHARMA KG (DE) 2003-03-06 US claimed
US-7005437-B2 Substituted aryl and heteroaryl derivatives, the preparation thereof and the use therof as pharmaceutical compositions BOEHRINGER INGELHEIM PHARMA KG (DE) 2006-02-28 US disclosed
US-20030045712-A1 Substituted aryl and heteroaryl derivatives, the preparation thereof and the use therof as pharmaceutical compositions BOEHRINGER INGELHEIM PHARMA KG (DE) 2003-03-06 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-20030045712-A1 Substituted aryl and heteroaryl derivatives, the preparation thereof and the use therof as pharmaceutical compositions F2, F12, F3 F2 1/4885PRSS1 204/4885PRSS2 424/4885

“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.