SCHEMBL18928771

SCHEMBL18928771

CC(C[C@H](Cc1ccc(OCOP(=O)(O)O)c([N+](=O)[O-])c1)NC(=O)OC(C)(C)C)C(=O)O

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.39
AAK1 Q2M2I8 4/20 0.36
PPARG P37231 1/20 0.36
PPARA Q07869 1/20 0.36
ATM Q13315 1/20 0.36
MME P08473 4/20 0.36
MMEL1 Q495T6 3/20 0.36
BCL2 P10415 2/20 0.35
MCL1 Q07820 1/20 0.35
ACE P12821 1/20 0.35
APP P05067 1/20 0.34

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
SCHEMBL19473311 0.90 ALDH1A1 (0.41) ALDH1A1AAK1PPARGPPARAATM
SCHEMBL18925550 0.90 ALDH1A1 (0.41) ALDH1A1AAK1PPARGPPARAATM
SCHEMBL18918272 0.90 ALDH1A1 (0.41) ALDH1A1AAK1PPARGPPARAATM
SCHEMBL18928769 0.86 AAK1 (0.38) AAK1ATMMMEMMEL1ACE
SCHEMBL28509153 0.85 ALDH1A1 (0.42) ALDH1A1AAK1PPARGPPARAATM
SCHEMBL28337609 0.84 ALDH1A1 (0.42) ALDH1A1AAK1PPARGPPARAATM
SCHEMBL28337611 0.84 ALDH1A1 (0.42) ALDH1A1AAK1PPARGPPARAATM
SCHEMBL28070782 0.84 ATM (0.39) ALDH1A1PPARGPPARAATMMME
SCHEMBL28070779 0.84 ATM (0.39) ALDH1A1PPARGPPARAATMMME
SCHEMBL28337627 0.82 ATM (0.42) ALDH1A1PPARGPPARAATMMME

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
EP-3210627-A1 CONJUGATES OF CELL BINDING MOLECULES WITH CYTOTOXIC AGENTS Hangzhou Dac Biotech Co., Ltd (CN) 2017-08-30 EP disclosed
US-20170157262-A1 CONJUGATES OF CELL BINDING MOLECULES WITH CYTOTOXIC AGENTS HANGZHOU DAC BIOTECH CO., LTD (CN) 2017-06-08 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-20170157262-A1 CONJUGATES OF CELL BINDING MOLECULES WITH CYTOTOXIC AGENTS CD4, CD2, CD47 ALDH1A1 3672/4885AAK1 4026/4885PPARG 4833/4885

“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.