SCHEMBL5885544

SCHEMBL5885544

CCOC(=O)CCN(CC#Cc1ccc(C(=O)C2CCCC2)c(C)c1)c1cccc(C(=N)N)c1

nearest known ligand 0.34

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
F10 P00742 13/20 0.34
F2 P00734 7/20 0.34
PRSS1 P07477 5/20 0.34
PRSS2 P07478 4/20 0.32
PRSS3 P35030 4/20 0.32
F9 P00740 2/20 0.32
ITGB3 P05106 3/20 0.32
ITGA2B P08514 3/20 0.32
PLAT P00750 2/20 0.31
PLG P00747 1/20 0.31
F7 P08709 1/20 0.31
PLAU P00749 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
Hydrochloric Acid SCHEMBL5886032 0.99 F10 (0.33) F10F2PRSS1PRSS2PRSS3
SCHEMBL5886000 0.87 GFER (0.35)
SCHEMBL5885659 0.86 F10 (0.38) F10F2PRSS1ITGB3ITGA2B
Hydrochloric Acid SCHEMBL5885398 0.85 F10 (0.37) F10F2PRSS1ITGB3ITGA2B
SCHEMBL5885467 0.85 F10 (0.36) F10F2PRSS1PRSS2PRSS3
Hydrochloric Acid SCHEMBL5885592 0.84 F10 (0.36) F10F2PRSS1PRSS2PRSS3
SCHEMBL5885790 0.78 F10 (0.39) F10F2PRSS1ITGB3ITGA2B
Hydrochloric Acid SCHEMBL5886028 0.78 F10 (0.38) F10F2PRSS1ITGB3ITGA2B
SCHEMBL5885703 0.76 ACACB (0.42) F10F2PRSS1PRSS2PRSS3
Hydrochloric Acid SCHEMBL5885906 0.76 ACACB (0.41) F10F2PRSS1PRSS2PRSS3

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-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 claimed
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 F10 16/4885F2 1/4885PRSS1 204/4885

“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.