SCHEMBL13552582

SCHEMBL13552582

N=C(N)NCCC[C@H](NO)C(=O)C(=O)c1sccc1NS(=O)(=O)c1ccc2c(c1)OCO2

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 7/20 0.39
▸ LMNA P02545 3/20 0.39
▸ KDM4E B2RXH2 6/20 0.38
▸ HSD17B10 Q99714 5/20 0.38
▸ TSHR P16473 1/20 0.38
▸ MAPK1 P28482 1/20 0.38
▸ NRP1 O14786 4/20 0.38
▸ HPGD P15428 3/20 0.37
▸ MAPT P10636 2/20 0.37
▸ PKM P14618 2/20 0.37
▸ USP2 O75604 1/20 0.37
▸ NPSR1 Q6W5P4 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ BMP1 P13497 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

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
SCHEMBL13552532 0.89 PKM (0.39) KDM4EHSD17B10TSHRMAPK1NRP1
SCHEMBL3704688 0.86 NRP1 (0.54) NRP1
SCHEMBL13552534 0.84 NRP1 (0.53) ALDH1A1LMNANRP1PKMSMN1; SMN2
SCHEMBL13552613 0.81 NRP1 (0.35) ALDH1A1LMNAKDM4EHSD17B10TSHR
SCHEMBL13552586 0.81 NRP1 (0.43) NRP1
SCHEMBL13552546 0.79 NRP1 (0.38) NRP1
SCHEMBL13552573 0.79 NRP1 (0.41) NRP1
SCHEMBL13552580 0.78 CCR2 (0.43) NRP1
SCHEMBL13552593 0.78 HDAC3 (0.42) LMNATSHRMAPK1NRP1HPGD
SCHEMBL13552572 0.77 NRP1 (0.56) NRP1PKMMEN1KMT2A

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-20120269864-A1 Arginine Derivatives with NP-I Antagonistic Activity GB06/019611.7 THERAPIES LIMITED (GB) 2012-10-25 — — 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-20120269864-A1 Arginine Derivatives with NP-I Antagonistic Activity NPFFR1, NPR1, ARG1 ALDH1A1 2638/4885LMNA 4551/4885KDM4E 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.

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