SCHEMBL12126308

SCHEMBL12126308

CN[C@@H](Cc1ccccc1)C(=O)NCC(=O)NCC(=O)O

nearest known ligand 0.57

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ ACE P12821 3/20 0.55
▸ MME P08473 5/20 0.54
▸ ALDH1A1 P00352 2/20 0.54
▸ HPGD P15428 1/20 0.54
▸ MAPK1 P28482 1/20 0.54
▸ HSD17B10 Q99714 1/20 0.54
▸ MEN1 O00255 1/20 0.54
▸ MAPT P10636 1/20 0.54
▸ ECE1 P42892 1/20 0.54
▸ BLM P54132 1/20 0.54
▸ NPEPPS P55786 1/20 0.54
▸ KMT2A Q03164 1/20 0.54
▸ CTSS P25774 3/20 0.48
▸ CTSL P07711 2/20 0.48
▸ CTSB P07858 1/20 0.48
▸ CTSK P43235 2/20 0.47

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
SCHEMBL12126314 0.94 ACE (0.60) ACEMMEALDH1A1HPGDMAPK1
SCHEMBL22199401 0.88 CTSS (0.50) ACEMMEALDH1A1HPGDMAPK1
SCHEMBL24764551 0.86 ACE (0.56) ACEMMEALDH1A1HPGDMAPK1
SCHEMBL24764552 0.85 ACE (0.51) ACEMMEALDH1A1HPGDMAPK1
SCHEMBL25148526 0.84 CTSS (0.53) ACEMMEALDH1A1HPGDMAPK1
SCHEMBL22695725 0.84 CTSS (0.54) ACEMMEALDH1A1HPGDMAPK1
SCHEMBL16656682 0.84 CTSS (0.54) ACEMMEALDH1A1HPGDMAPK1
SCHEMBL30881100 0.83 CTSS (0.52) ACEMMEALDH1A1HSD17B10CTSS
SCHEMBL9388996 0.82 CTSS (0.49) ACEMMEALDH1A1HPGDMAPK1
SCHEMBL9388987 0.82 CTSS (0.49) ACEMMEALDH1A1HPGDMAPK1

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
WO-2021055690-A1 PEPTIDE-CONJUGATED PRODRUGS BRANDEIS UNIVERSITY (US) 2021-03-25 — — WO disclosed
US-8993536-B2 Low-molecular polysulfated hyaluronic acid derivative and medicine containing same OTSUKA CHEMICAL CO., LTD. (JP) 2015-03-31 — — US disclosed
US-20110281819-A1 LOW-MOLECULAR POLYSULFATED HYALURONIC ACID DERIVATIVE AND MEDICINE CONTAINING SAME OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2011-11-17 — — 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-20110281819-A1 LOW-MOLECULAR POLYSULFATED HYALURONIC ACID DERIVATIVE AND MEDICINE CONTAINING SAME HRH1, HRH2, HRH3 ACE 2807/4885MME 1361/4885ALDH1A1 1422/4885

“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