SCHEMBL22044576

SCHEMBL22044576

C[C@H](C[C@H](Cc1ccc(O)c(N)c1)NC(=O)OC(C)(C)C)C(=O)O

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.45
MME P08473 5/20 0.43
MMEL1 Q495T6 3/20 0.43
ACE P12821 2/20 0.43
ALDH1A1 P00352 1/20 0.41
GAA P10253 1/20 0.41
GFER P55789 1/20 0.41
APP P05067 3/20 0.41
CYP3A4 P08684 5/20 0.40
PPARG P37231 1/20 0.40
PPARA Q07869 1/20 0.40

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
SCHEMBL18928697 1.00 ATM (0.45) ATMMMEMMEL1ACEALDH1A1
SCHEMBL22044541 1.00 ATM (0.45) ATMMMEMMEL1ACEALDH1A1
SCHEMBL19479915 1.00 ATM (0.45) ATMMMEMMEL1ACEALDH1A1
SCHEMBL20529471 0.91 ATM (0.42) ATMALDH1A1GAAGFERAPP
SCHEMBL29467655 0.91 ATM (0.42) ATMALDH1A1GAAGFERAPP
SCHEMBL20529408 0.91 ATM (0.42) ATMALDH1A1GAAGFERAPP
SCHEMBL20529409 0.91 ATM (0.42) ATMALDH1A1GAAGFERAPP
SCHEMBL29467732 0.91 ATM (0.42) ATMALDH1A1GAAGFERAPP
SCHEMBL24117993 0.90 ALDH1A1 (0.43) ATMALDH1A1GAAGFERAPP
SCHEMBL24118107 0.90 AAK1 (0.47) ATMALDH1A1GAAGFERAPP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11873281-B2 Conjugates of cell binding molecules with cytotoxic agents HANGZHOU DAC BIOTECH CO., LTD. (CN) 2024-01-16 US disclosed
EP-3862023-A1 CONJUGATES OF CELL-BINDING MOLECULES WITH CYTOTOXIC AGENTS Hangzhou DAC Biotech Co, Ltd (CN) 2021-08-11 EP disclosed
US-20200276261-A1 A CONJUGATE OF A TUBULYSIN ANALOG WITH BRANCHED LINKERS HANGZHOU DAC BIOTECH CO., LTD. (CN) 2020-09-03 US disclosed
US-20200172480-A1 CONJUGATES OF CELL BINDING MOLECULES WITH CYTOTOXIC AGENTS HANGZHOU DAC BIOTECH CO., LTD. (CN) 2020-06-04 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 (3 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-11873281-B2 Conjugates of cell binding molecules with cytotoxic agents CD4, CD2, CD47 ATM 2986/4885MME 2254/4885MMEL1 858/4885
US-20200172480-A1 CONJUGATES OF CELL BINDING MOLECULES WITH CYTOTOXIC AGENTS CD4, CD2, CD47 ATM 2986/4885MME 2254/4885MMEL1 858/4885
US-20200276261-A1 A CONJUGATE OF A TUBULYSIN ANALOG WITH BRANCHED LINKERS TEKT1, TEK, BTN3A1 ATM 4584/4885MME 465/4885MMEL1 193/4885

“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.