SCHEMBL4572291

SCHEMBL4572291

COc1ncc(-c2ccc(S(=O)(=O)Nc3ccsc3C(=O)C(=O)[C@@H](N)CCCNC(N)N)cc2)cn1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.42
HPGD P15428 1/20 0.42
TSHR P16473 1/20 0.42
PTGES2 Q9H7Z7 2/20 0.37
NRP1 O14786 3/20 0.35
PKM P14618 2/20 0.34
ALOX12 P18054 1/20 0.33
SLC10A6 Q3KNW5 1/20 0.33
KCNH2 Q12809 1/20 0.32
AKT1 P31749 1/20 0.32
PIK3CA P42336 1/20 0.32
MTOR P42345 1/20 0.32
SMN1; SMN2 Q16637 3/20 0.32
ALDH1A1 P00352 3/20 0.32
MAPT P10636 2/20 0.32
CHRM4 P08173 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32

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
SCHEMBL4572328 0.91 PTGES2 (0.50) LMNAHPGDTSHRPTGES2NRP1
SCHEMBL4572277 0.87 SLC10A6 (0.37) LMNAHPGDTSHRPTGES2NRP1
SCHEMBL4572289 0.85 NRP1 (0.53) LMNAHPGDTSHRPTGES2NRP1
SCHEMBL10068133 0.84 LMNA (0.38) LMNAHPGDTSHRNRP1
SCHEMBL4572335 0.80 DRD2 (0.37) LMNAHPGDTSHRNRP1
SCHEMBL4569877 0.78 TSHR (0.56) LMNAHPGDTSHRPTGES2PKM
SCHEMBL4572278 0.77 LARS1 (0.47) PTGES2NRP1
SCHEMBL4572333 0.77 NRP1 (0.54) PTGES2NRP1
SCHEMBL13554544 0.75 NRP1 (0.42) LMNAHPGDTSHRNRP1SMN1; SMN2
SCHEMBL4572265 0.75 NRP1 (0.40) PTGES2NRP1KCNH2

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 3 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

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

For each of this compound's patents that has machine-readable text (2 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 LMNA 4551/4885HPGD 529/4885TSHR 801/4885
US-20120122862-A1 ARGININE DERIVATIVES WITH NP-I ANTAGONISTIC ACTIVITY NPFFR1, NPR1, ARG1 LMNA 4551/4885HPGD 529/4885TSHR 801/4885

“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.