SCHEMBL4569830

SCHEMBL4569830

N=C(N)NCCC[C@H](NC(=O)c1sccc1NS(=O)(=O)c1ccc(-c2ccccn2)s1)C(=O)O

nearest known ligand 0.49

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
NRP1 O14786 13/20 0.49
NPR1 P16066 1/20 0.45
CAPN1 P07384 4/20 0.45
PFKFB3 Q16875 1/20 0.42
ITGB3 P05106 1/20 0.41
ITGAV P06756 1/20 0.41
ITGA2B P08514 1/20 0.41
RXFP1 Q9HBX9 1/20 0.41

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
SCHEMBL10067522 0.89 NRP1 (0.50) NRP1NPR1CAPN1PFKFB3RXFP1
SCHEMBL3701412 0.84 NRP1 (0.46) NRP1NPR1PFKFB3
SCHEMBL4569833 0.81 NRP1 (0.51) NRP1NPR1
SCHEMBL4569903 0.80 NRP1 (0.56) NRP1NPR1
SCHEMBL4569810 0.80 NRP1 (0.74) NRP1NPR1
SCHEMBL3697849 0.79 NRP1 (0.54) NRP1NPR1
SCHEMBL4569824 0.79 NRP1 (0.60) NRP1NPR1
SCHEMBL4569829 0.78 NRP1 (0.56) NRP1NPR1
SCHEMBL4569795 0.78 NRP1 (0.73) NRP1NPR1ITGB3ITGA2B
SCHEMBL4569907 0.78 NRP1 (0.55) NRP1NPR1

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 NRP1 145/4885NPR1 2/4885CAPN1 933/4885
US-20120122862-A1 ARGININE DERIVATIVES WITH NP-I ANTAGONISTIC ACTIVITY NPFFR1, NPR1, ARG1 NRP1 145/4885NPR1 2/4885CAPN1 933/4885
US-20100022525-A1 Arginine Derivatives with NP-I Antagonistic Activity NPFFR1, NPR1, ARG1 NRP1 145/4885NPR1 2/4885CAPN1 933/4885

“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.