SCHEMBL13435402

SCHEMBL13435402

CC(=O)[C@@H]1CN(C)[C@H](CC(=O)O)C(=O)N1

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 3/20 0.53
▸ ITGB3 P05106 1/20 0.36
▸ ITGB2 P05107 1/20 0.36
▸ ITGB1 P05556 1/20 0.36
▸ ITGAV P06756 1/20 0.36
▸ ITGA2B P08514 1/20 0.36
▸ ITGA5 P08648 1/20 0.36
▸ ITGB5 P18084 1/20 0.36
▸ ITGAL P20701 1/20 0.36
▸ ALDH1A1 P00352 5/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ TDP1 Q9NUW8 1/20 0.32
▸ HTT P42858 3/20 0.31
▸ MAPT P10636 2/20 0.31
▸ KDM4E B2RXH2 2/20 0.31
▸ POLB P06746 1/20 0.31
▸ L3MBTL1 Q9Y468 1/20 0.30
▸ GAA P10253 1/20 0.30

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
SCHEMBL12572121 1.00 TSHR (0.53) TSHRITGB3ITGB2ITGB1ITGAV
SCHEMBL12572195 0.86 TSHR (0.38) TSHRGAA
SCHEMBL13170358 0.84 TSHR (0.34) TSHR
SCHEMBL12572123 0.84 TSHR (0.34) TSHR
SCHEMBL12572138 0.79 MMP1 (0.37) TSHRALDH1A1TDP1MAPTKDM4E
SCHEMBL12572118 0.79 MMP1 (0.43) MAPTKDM4E
SCHEMBL12572142 0.79 MMP1 (0.43) MAPTKDM4E
SCHEMBL12572141 0.79 MMP1 (0.43) MAPTKDM4E
SCHEMBL12572194 0.78 GAA (0.40) TSHRGAA
SCHEMBL13170363 0.75 TSHR (0.30) TSHR

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-20100075895-A1 Cyclic Natriuretic Peptide Constructs PALATIN TECHNOLOGIES, INC. (US) 2010-03-25 — — 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-20100075895-A1 Cyclic Natriuretic Peptide Constructs NPR1, NPR3, NPPA TSHR 44/4885ITGB3 3857/4885ITGB2 4125/4885

“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.

Send feedback