SCHEMBL23901055

SCHEMBL23901055

CC(C)NC(=O)C(Cc1ccccc1)NC(=O)C(C)NC(C)S

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MME P08473 10/20 0.52
ACE P12821 8/20 0.52
CPA1 P15085 6/20 0.52
ACE2 Q9BYF1 6/20 0.52
MMP9 P14780 1/20 0.48
MMP8 P22894 1/20 0.48
MMP14 P50281 1/20 0.48
MMP3 P08254 1/20 0.47
MMP1 P03956 1/20 0.47
FCER2 P06734 1/20 0.47
ALDH1A1 P00352 1/20 0.47
THRB P10828 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
HSD17B10 Q99714 1/20 0.47
HDAC3 O15379 1/20 0.47
HDAC4 P56524 1/20 0.47
HDAC1 Q13547 1/20 0.47
HDAC2 Q92769 1/20 0.47
HDAC8 Q9BY41 1/20 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
SCHEMBL22045374 0.90 MMP9 (0.51) MMEACECPA1ACE2MMP9
SCHEMBL21788079 0.85 MMP9 (0.51) MMEACECPA1ACE2MMP9
SCHEMBL24837517 0.82 HDAC3 (0.51) MMEACECPA1ACE2MMP9
SCHEMBL21788100 0.82 GNPAT (0.50) MMEACECPA1ACE2
SCHEMBL25062114 0.81 HDAC3 (0.50) MMEACECPA1ACE2MMP9
SCHEMBL18435193 0.81 NPC1 (0.53) MMEACECPA1ACE2MMP9
SCHEMBL18435393 0.81 NPC1 (0.53) MMEACECPA1ACE2MMP9
SCHEMBL26690545 0.81 MMP9 (0.56) MMEACECPA1ACE2MMP9
SCHEMBL26690546 0.81 MMP9 (0.56) MMEACECPA1ACE2MMP9
SCHEMBL16254302 0.78 NPC1 (0.53) MMEACECPA1ACE2MMP9

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-20230115871-A1 A CONJUGATE OF A CYTOTOXIC AGENT TO A CELL BINDING MOLECULE WITH BRANCHED LINKERS HANGZHOU DAC BIOTECH CO., LTD (CN) 2023-04-13 US disclosed
US-20210308277-A1 CONJUGATION LINKERS, CELL BINDING MOLECULE-DRUG CONJUGATES CONTAINING THE LINKERS, METHODS OF MAKING AND USES SUCH CONJUGATES WITH THE LINKERS HANGZHOU DAC BIOTECH CO., LTD. (CN) 2021-10-07 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-20230115871-A1 A CONJUGATE OF A CYTOTOXIC AGENT TO A CELL BINDING MOLECULE WITH BRANCHED LINKERS CD2BP2, EPCAM, CD74 MME 1262/4885ACE 3536/4885CPA1 734/4885
US-20210308277-A1 CONJUGATION LINKERS, CELL BINDING MOLECULE-DRUG CONJUGATES CONTAINING THE LINKERS, METHODS OF MAKING AND USES SUCH CONJUGATES WITH THE LINKERS CD2BP2, DCLRE1A, EPCAM MME 2501/4885ACE 4146/4885CPA1 1072/4885

“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.