SCHEMBL21132251

SCHEMBL21132251

C=CCO[C@@H]1C[C@@H](C(=O)O)N(C(=O)CN)C1

nearest known ligand 0.41

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
AGTR2 P50052 6/20 0.41
FOLH1 Q04609 2/20 0.34
EPHX2 P34913 1/20 0.32
ATM Q13315 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
SCHEMBL3113793 0.85 AGTR2 (0.44) AGTR2FOLH1EPHX2ATM
SCHEMBL26121769 0.85 AGTR2 (0.44) AGTR2FOLH1EPHX2ATM
SCHEMBL7318416 0.83 AGTR2 (0.39) AGTR2FOLH1
SCHEMBL21132250 0.80 AGTR2 (0.38) AGTR2FOLH1
Hydrochloric Acid SCHEMBL7322572 0.79 AGTR2 (0.46) AGTR2
SCHEMBL6847947 0.77 AGTR2 (0.39) AGTR2
SCHEMBL2203146 0.77 AGTR2 (0.39) AGTR2
SCHEMBL6847951 0.77 AGTR2 (0.39) AGTR2
SCHEMBL949815 0.77 AGTR2 (0.39) AGTR2
SCHEMBL949817 0.77 AGTR2 (0.39) AGTR2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10443026-B2 Polygonal scaffold and manufacturing method thereof, and protein modulator and manufacturing method thereof NATIONAL TSING HUA UNIVERSITY (TW) 2019-10-15 US disclosed
US-20190194590-A1 POLYGONAL SCAFFOLD AND MANUFACTURING METHOD THEREOF, AND PROTEIN MODULATOR AND MANUFACTURING METHOD THEREOF NATIONAL TSING HUA UNIVERSITY (TW) 2019-06-27 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-20190194590-A1 POLYGONAL SCAFFOLD AND MANUFACTURING METHOD THEREOF, AND PROTEIN MODULATOR AND MANUFACTURING METHOD THEREOF PPIA, PPIH, FKBP1A AGTR2 4073/4885FOLH1 3458/4885EPHX2 4260/4885
US-10443026-B2 Polygonal scaffold and manufacturing method thereof, and protein modulator and manufacturing method thereof PPIA, PPIH, FKBP1A AGTR2 4285/4885FOLH1 3536/4885EPHX2 4372/4885

“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.