SCHEMBL4572259

SCHEMBL4572259

COC(=O)[C@H](CCC(=O)NC(=N)NC(=O)OC(C)(C)C)NC(=O)c1sccc1NS(=O)(=O)c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NRP1 O14786 5/20 0.49
ALDH1A1 P00352 3/20 0.41
SLC10A6 Q3KNW5 1/20 0.37
LMNA P02545 2/20 0.36
HPGD P15428 1/20 0.36
TSHR P16473 1/20 0.36
PPARG P37231 1/20 0.36
PPARA Q07869 1/20 0.36
PARP14 Q460N5 1/20 0.35
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
MMP1 P03956 2/20 0.34
MMP2 P08253 2/20 0.34
MMP9 P14780 2/20 0.34
MMP8 P22894 2/20 0.34
MMP13 P45452 2/20 0.34
SMN1; SMN2 Q16637 3/20 0.34
MAPT P10636 2/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34

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
SCHEMBL13547968 0.89 SLC10A6 (0.52) NRP1ALDH1A1SLC10A6LMNAPARP14
SCHEMBL10083054 0.86 NRP1 (0.48) NRP1ALDH1A1SLC10A6LMNAHPGD
SCHEMBL2106929 0.83 NRP1 (0.52) NRP1ALDH1A1SLC10A6LMNAHPGD
SCHEMBL2106178 0.78 NRP1 (0.70) NRP1ALDH1A1MMP2
SCHEMBL4572324 0.77 NRP1 (0.53) NRP1ALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL2106614 0.72 NRP1 (0.55) NRP1ALDH1A1SLC10A6LMNAPARP14
SCHEMBL4569808 0.69 NRP1 (0.75) NRP1ALDH1A1
SCHEMBL2106421 0.67 NRP1 (0.71) NRP1SLC10A6PARP14
SCHEMBL24754660 0.65 PPARG (0.44) ALDH1A1LMNAPPARGPPARAMEN1
SCHEMBL29184644 0.65 PPARG (0.44) ALDH1A1LMNAPPARGPPARAMEN1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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-20120122862-A1 ARGININE DERIVATIVES WITH NP-I ANTAGONISTIC ACTIVITY NPFFR1, NPR1, ARG1 NRP1 145/4885ALDH1A1 2638/4885SLC10A6 1440/4885

“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.