Sugi Predict

Sugi Predict / Compounds / SCHEMBL4569797

SCHEMBL4569797

SCHEMBL4569797

N=C(N)NCCC[C@H](NC(=O)c1csc(NS(=O)(=O)c2cccc(N)c2)n1)C(=O)O

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NRP1 O14786 10/20 0.54
▸ KDM1A O60341 4/20 0.37
▸ MAOA P21397 4/20 0.37
▸ NPR1 P16066 1/20 0.37
▸ SHMT1 P34896 1/20 0.37
▸ MEN1 O00255 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ POLB P06746 1/20 0.35
▸ PIN1 Q13526 1/20 0.35
▸ HDAC3 O15379 1/20 0.35
▸ HDAC4 P56524 1/20 0.35
▸ HDAC1 Q13547 1/20 0.35
▸ HDAC7 Q8WUI4 1/20 0.35
▸ HDAC2 Q92769 1/20 0.35
▸ HDAC10 Q969S8 1/20 0.35
▸ HDAC11 Q96DB2 1/20 0.35
▸ HDAC8 Q9BY41 1/20 0.35
▸ HDAC6 Q9UBN7 1/20 0.35
▸ HDAC9 Q9UKV0 1/20 0.35
▸ HDAC5 Q9UQL6 1/20 0.35

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
SCHEMBL4572249 0.88 NRP1 (0.53) NRP1KDM1AMAOANPR1MEN1
SCHEMBL3711157 0.85 NRP1 (0.74) NRP1NPR1
SCHEMBL4569803 0.81 NRP1 (0.51) NRP1KDM1AMAOAMEN1KMT2A
SCHEMBL4569796 0.81 NRP1 (0.55) NRP1MEN1KMT2APOLB
SCHEMBL4569898 0.78 NRP1 (0.59) NRP1NPR1
SCHEMBL8225558 0.76 NRP1 (0.62) NRP1NPR1
SCHEMBL10067570 0.76 NRP1 (0.55) NRP1NPR1
SCHEMBL10083057 0.75 NRP1 (0.61) NRP1NPR1
SCHEMBL4569800 0.75 NRP1 (0.49) NRP1
SCHEMBL4569839 0.75 NRP1 (0.58) 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 145/4885KDM1A 1722/4885MAOA 2805/4885
US-20120122862-A1 ARGININE DERIVATIVES WITH NP-I ANTAGONISTIC ACTIVITY NPFFR1, NPR1, ARG1 NRP1 145/4885KDM1A 1722/4885MAOA 2805/4885
US-20100022525-A1 Arginine Derivatives with NP-I Antagonistic Activity NPFFR1, NPR1, ARG1 NRP1 145/4885KDM1A 1722/4885MAOA 2805/4885

“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.