SCHEMBL4569798

SCHEMBL4569798

N=C(N)NCCC[C@H](NC(=O)c1ccccc1NS(=O)(=O)c1ccc(N)cc1)C(=O)O

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NRP1 O14786 5/20 0.51
KDM4E B2RXH2 3/20 0.46
HSD17B10 Q99714 2/20 0.46
GAA P10253 1/20 0.46
KCNA5 P22460 7/20 0.45
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
ALDH1A1 P00352 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
PKM P14618 1/20 0.41
ITGB3 P05106 1/20 0.40
ITGA2B P08514 1/20 0.40
TSHR P16473 1/20 0.40
MAPK1 P28482 1/20 0.40

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
SCHEMBL3701266 0.90 NRP1 (0.47) NRP1
SCHEMBL4569796 0.90 NRP1 (0.55) NRP1KDM4EHSD17B10GAAKCNA5
SCHEMBL4572258 0.87 NRP1 (0.50) NRP1KDM4EHSD17B10GAAKCNA5
SCHEMBL4569795 0.83 NRP1 (0.73) NRP1ITGB3ITGA2B
SCHEMBL3696198 0.81 NRP1 (0.45) NRP1ITGB3ITGA2B
SCHEMBL4569804 0.79 KMT2A (0.47) NRP1KDM4EGAAALDH1A1ITGB3
SCHEMBL4569863 0.79 NRP1 (0.58) NRP1
SCHEMBL25158952 0.77 FOLH1 (0.48)
SCHEMBL5892488 0.77 FOLH1 (0.48)
SCHEMBL4572300 0.77 NRP1 (0.54) NRP1KDM4EHSD17B10GAAKCNA5

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 145/4885KDM4E 3848/4885HSD17B10 3522/4885
US-20120122862-A1 ARGININE DERIVATIVES WITH NP-I ANTAGONISTIC ACTIVITY NPFFR1, NPR1, ARG1 NRP1 145/4885KDM4E 3848/4885HSD17B10 3522/4885
US-20100022525-A1 Arginine Derivatives with NP-I Antagonistic Activity NPFFR1, NPR1, ARG1 NRP1 145/4885KDM4E 3848/4885HSD17B10 3522/4885

“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.