SCHEMBL4572253

SCHEMBL4572253

CCc1cc(NC(=O)c2cccc(S(=O)(=O)Nc3ccsc3C(=O)N[C@@H](CCCNC(N)N)C(=O)O)c2)ccc1C

nearest known ligand 0.52

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
NRP1 O14786 16/20 0.52
NPR1 P16066 1/20 0.42
CASP3 P42574 1/20 0.41
SENP8 Q96LD8 1/20 0.41
SENP7 Q9BQF6 1/20 0.41
SENP6 Q9GZR1 1/20 0.41
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39

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
SCHEMBL11940756 0.90 NRP1 (0.52) NRP1NPR1CASP3SENP8SENP7
SCHEMBL10081982 0.88 NRP1 (0.54) NRP1NPR1MEN1KMT2A
SCHEMBL4572280 0.83 NRP1 (0.58) NRP1NPR1
SCHEMBL10067737 0.82 NRP1 (0.52) NRP1NPR1
SCHEMBL10068128 0.82 NRP1 (0.55) NRP1NPR1MEN1KMT2A
SCHEMBL4572250 0.82 NRP1 (0.74) NRP1NPR1
SCHEMBL10068222 0.82 NRP1 (0.56) NRP1NPR1
SCHEMBL11940776 0.81 NRP1 (0.63) NRP1NPR1
SCHEMBL10067861 0.81 NRP1 (0.53) NRP1NPR1
SCHEMBL10081985 0.80 NRP1 (0.51) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 145/4885NPR1 2/4885CASP3 3346/4885

“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.