SCHEMBL4569804

SCHEMBL4569804

N=C(N)NCCC[C@H](NC(=O)c1ccsc1NS(=O)(=O)c1ccccc1)C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.47
NRP1 O14786 10/20 0.45
ITGB3 P05106 1/20 0.38
ITGA2B P08514 1/20 0.38
C3AR1 Q16581 1/20 0.38
ACLY P53396 1/20 0.38
KDM4E B2RXH2 1/20 0.37
MMP2 P08253 2/20 0.37
MMP9 P14780 2/20 0.37
BMP1 P13497 1/20 0.37
NPR1 P16066 1/20 0.36
MEN1 O00255 1/20 0.36
ALDH1A1 P00352 1/20 0.36
GAA P10253 1/20 0.36
MAPT P10636 1/20 0.36

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
SCHEMBL4572294 0.87 KMT2A (0.48) KMT2ANRP1ACLYKDM4EMMP2
SCHEMBL4569798 0.79 NRP1 (0.51) NRP1ITGB3ITGA2BKDM4EALDH1A1
SCHEMBL4569795 0.78 NRP1 (0.73) NRP1ITGB3ITGA2BNPR1
SCHEMBL3711157 0.78 NRP1 (0.74) NRP1NPR1
SCHEMBL4569812 0.77 NRP1 (0.62) NRP1ITGB3ITGA2BKDM4ENPR1
SCHEMBL4569821 0.77 NRP1 (0.62) NRP1MMP2MMP9NPR1
SCHEMBL4569796 0.77 NRP1 (0.55) KMT2ANRP1C3AR1KDM4EMEN1
SCHEMBL3448325 0.77 MMP9 (0.58) ITGB3ITGA2BMMP2MMP9
SCHEMBL3448321 0.77 MMP9 (0.58) ITGB3ITGA2BMMP2MMP9
SCHEMBL11934636 0.76 NRP1 (0.60) 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 KMT2A 2412/4885NRP1 145/4885ITGB3 4727/4885
US-20120122862-A1 ARGININE DERIVATIVES WITH NP-I ANTAGONISTIC ACTIVITY NPFFR1, NPR1, ARG1 KMT2A 2412/4885NRP1 145/4885ITGB3 4727/4885
US-20100022525-A1 Arginine Derivatives with NP-I Antagonistic Activity NPFFR1, NPR1, ARG1 KMT2A 2412/4885NRP1 145/4885ITGB3 4727/4885

“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.