SCHEMBL4572258

SCHEMBL4572258

Nc1ccc(S(=O)(=O)Nc2ccccc2C(=O)N[C@@H](CCCNC(N)N)C(=O)O)cc1

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NRP1 O14786 4/20 0.50
KCNA5 P22460 7/20 0.47
KDM4E B2RXH2 2/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
GAA P10253 1/20 0.42
HSD17B10 Q99714 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CA9 Q16790 1/20 0.42
ALDH1A1 P00352 2/20 0.41
MEN1 O00255 1/20 0.40
LMNA P02545 1/20 0.40
KMT2A Q03164 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
MMP2 P08253 1/20 0.40
MMP9 P14780 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
SCHEMBL4572300 0.90 NRP1 (0.54) NRP1KCNA5KDM4ERAB9AGAA
SCHEMBL4569798 0.87 NRP1 (0.51) NRP1KCNA5KDM4ENPC1RAB9A
SCHEMBL4572295 0.83 NRP1 (0.73) NRP1CA2LMNA
SCHEMBL4572260 0.81 ATIC (0.46) NRP1CA1CA2MEN1LMNA
SCHEMBL4572294 0.78 KMT2A (0.48) NRP1KCNA5KDM4EGAACA2
SCHEMBL4572323 0.78 L3MBTL1 (0.60) NRP1
SCHEMBL3701266 0.77 NRP1 (0.47) NRP1MMP2MMP9
SCHEMBL4569796 0.77 NRP1 (0.55) NRP1KCNA5KDM4ERAB9AGAA
SCHEMBL10067889 0.75 C3AR1 (0.47) NRP1CA1CA2
SCHEMBL4572250 0.75 NRP1 (0.74) NRP1

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 NRP1 145/4885KCNA5 1746/4885KDM4E 3848/4885
US-20120122862-A1 ARGININE DERIVATIVES WITH NP-I ANTAGONISTIC ACTIVITY NPFFR1, NPR1, ARG1 NRP1 145/4885KCNA5 1746/4885KDM4E 3848/4885

“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.