SCHEMBL4569799

SCHEMBL4569799

N=C(N)NCCC[C@H](NC(=O)c1ccc(-c2cccc(N)c2)o1)C(=O)O

nearest known ligand 0.57

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
C3AR1 Q16581 15/20 0.57
PRSS1 P07477 1/20 0.45
TMPRSS15 P98073 1/20 0.45
SUCNR1 Q9BXA5 1/20 0.42

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
SCHEMBL4572286 0.86 C3AR1 (0.56) C3AR1SUCNR1
SCHEMBL4569805 0.84 C3AR1 (0.53) C3AR1
SCHEMBL4569800 0.82 NRP1 (0.49) C3AR1
SCHEMBL18596522 0.78 C3AR1 (0.69) C3AR1
SCHEMBL14090793 0.78 C3AR1 (0.69) C3AR1
SCHEMBL4936895 0.76 ALDH1A1 (0.50) PRSS1TMPRSS15
SCHEMBL1426693 0.76 ALDH1A1 (0.51) C3AR1
SCHEMBL4569806 0.74 DDX3X (0.45) C3AR1PRSS1
SCHEMBL17104397 0.74 FOLH1 (0.47) C3AR1
SCHEMBL17104379 0.74 FOLH1 (0.47) C3AR1

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-20120269864-A1 Arginine Derivatives with NP-I Antagonistic Activity GB06/019611.7 THERAPIES LIMITED (GB) 2012-10-25 US disclosed
US-8227606-B2 Arginine derivatives with NP-1 antagonistic activity ARK THERAPEUTICS, LTD. (GB) 2012-07-24 US disclosed
US-20120122862-A1 ARGININE DERIVATIVES WITH NP-I ANTAGONISTIC ACTIVITY GB06/019611.7 THERAPIES LIMITED (GB) 2012-05-17 US disclosed
US-8158789-B2 Arginine derivatives with NP-I antagonistic activity Ark Therapeutics Group Ltd. (GB) 2012-04-17 US disclosed
US-20100022525-A1 Arginine Derivatives with NP-I Antagonistic Activity GB06/019611.7 THERAPIES LIMITED (GB) 2010-01-28 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 (3 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-20120269864-A1 Arginine Derivatives with NP-I Antagonistic Activity NPFFR1, NPR1, ARG1 C3AR1 942/4885PRSS1 1012/4885TMPRSS15 2881/4885
US-20120122862-A1 ARGININE DERIVATIVES WITH NP-I ANTAGONISTIC ACTIVITY NPFFR1, NPR1, ARG1 C3AR1 942/4885PRSS1 1012/4885TMPRSS15 2881/4885
US-20100022525-A1 Arginine Derivatives with NP-I Antagonistic Activity NPFFR1, NPR1, ARG1 C3AR1 942/4885PRSS1 1012/4885TMPRSS15 2881/4885

“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.