SCHEMBL5886150

SCHEMBL5886150

CN(CC#Cc1ccc(-c2ccccc2S(N)(=O)=O)cc1)c1cccc(C(=N)N)c1

nearest known ligand 0.54

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
F2 P00734 14/20 0.54
PRSS1 P07477 14/20 0.54
PRSS2 P07478 12/20 0.54
PRSS3 P35030 12/20 0.54
F10 P00742 9/20 0.53
PLG P00747 3/20 0.53
PLAT P00750 2/20 0.53
F7 P08709 2/20 0.53
PROC P04070 1/20 0.49
KLK1 P06870 1/20 0.49

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 SCHEMBL5886180 0.99 F2 (0.53) F2PRSS1PRSS2PRSS3F10
SCHEMBL5885767 0.85 F2 (0.57) F2PRSS1PRSS2PRSS3F10
Hydrochloric Acid SCHEMBL5885688 0.84 F2 (0.56) F2PRSS1PRSS2PRSS3F10
SCHEMBL5885671 0.80 PRSS1 (0.58) F2PRSS1PRSS2PRSS3F10
SCHEMBL5885677 0.80 F2 (0.55) F2PRSS1PRSS2PRSS3F10
Hydrochloric Acid SCHEMBL5885721 0.80 PRSS1 (0.57) F2PRSS1PRSS2PRSS3F10
SCHEMBL7060085 0.78 F10 (0.66) F2PRSS1PRSS2PRSS3F10
SCHEMBL7060800 0.72 F10 (0.65) F2PRSS1PRSS2PRSS3F10
SCHEMBL28751425 0.72 F10 (0.60) F2PRSS1PRSS2PRSS3F10
SCHEMBL7122855 0.71 F10 (0.71) F2PRSS1F10PLGPLAT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1404648-A1 AMIDINE SUBSTITUTED ARYL AND HETEROARYL DERIVATIVES WITH AN ANTITHROMBOTIC AND FACTOR XA INHIBITING ACTION Boehringer Ingelheim Pharma GmbH & Co.KG (DE) 2004-04-07 EP claimed
WO-2003101942-A1 AMIDINE SUBSTITUTED ARYL AND HETEROARYL DERIVATIVES WITH AN ANTITHROMBOTIC AND FACTOR XA INHIBITING ACTION BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2003-12-11 WO 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
EP-1404648-A1 AMIDINE SUBSTITUTED ARYL AND HETEROARYL DERIVATIVES WITH AN ANTITHROMBOTIC AND FACTOR XA INHIBITING ACTION Boehringer Ingelheim Pharma GmbH & Co.KG (DE) 2004-04-07 EP disclosed
WO-2003101942-A1 AMIDINE SUBSTITUTED ARYL AND HETEROARYL DERIVATIVES WITH AN ANTITHROMBOTIC AND FACTOR XA INHIBITING ACTION BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2003-12-11 WO 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.