SCHEMBL21788079

SCHEMBL21788079

CNC(C)C(=O)NC(Cc1ccccc1)C(=O)NC(C)C

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP9 P14780 4/20 0.51
MMP8 P22894 4/20 0.51
MMP14 P50281 1/20 0.51
MMP1 P03956 7/20 0.50
MMP3 P08254 4/20 0.50
MMP2 P08253 4/20 0.50
FCER2 P06734 2/20 0.50
ALDH1A1 P00352 1/20 0.50
THRB P10828 1/20 0.50
CYP2C9 P11712 1/20 0.50
CYP2C19 P33261 1/20 0.50
HSD17B10 Q99714 1/20 0.50
HDAC3 O15379 1/20 0.50
HDAC4 P56524 1/20 0.50
HDAC1 Q13547 1/20 0.50
HDAC2 Q92769 1/20 0.50
HDAC8 Q9BY41 1/20 0.50
MMP7 P09237 2/20 0.49
MME P08473 3/20 0.49
ACE P12821 2/20 0.49

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
SCHEMBL30576703 0.90 LTA4H (0.58) MMEACE
SCHEMBL30576710 0.90 LTA4H (0.58) MMEACE
SCHEMBL20160263 0.90 MMP1 (0.61) MMP9MMP8MMP1MMP3MMP2
SCHEMBL22045374 0.88 MMP9 (0.51) MMP9MMP8MMP14MMP3ALDH1A1
SCHEMBL22457529 0.88 MME (0.63) MMP9MMP2MMP7MMEACE
SCHEMBL16254302 0.88 NPC1 (0.53) MMP9MMP8MMP14MMP3ALDH1A1
SCHEMBL13744303 0.87 ALDH1A1 (0.53) MMP1MMP3MMP2FCER2ALDH1A1
SCHEMBL24837517 0.86 HDAC3 (0.51) MMP9MMP8MMP14MMP1MMP3
SCHEMBL23901055 0.85 MME (0.52) MMP9MMP8MMP14MMP1MMP3
SCHEMBL26690545 0.84 MMP9 (0.56) MMP9MMP8MMP14MMP1MMP3

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-20210346523-A1 SPECIFIC CONJUGATION LINKERS, SPECIFIC IMMUNOCONJUGATES THEREOF, METHODS OF MAKING AND USES SUCH CONJUGATES THEREOF HANGZHOU DAC BIOTECH CO., LTD. (CN) 2021-11-11 US disclosed
US-20200069814-A1 CONJUGATION OF A CYTOTOXIC DRUG WITH BIS-LINKAGE HANGZHOU DAC BIOTECH CO., LTD. (CN) 2020-03-05 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-20200069814-A1 CONJUGATION OF A CYTOTOXIC DRUG WITH BIS-LINKAGE CD4, MCL1, CCNB1 MMP9 3698/4885MMP8 1703/4885MMP14 4196/4885
US-20210346523-A1 SPECIFIC CONJUGATION LINKERS, SPECIFIC IMMUNOCONJUGATES THEREOF, METHODS OF MAKING AND USES SUCH CONJUGATES THEREOF SLC25A1, GCDH, FH MMP9 4061/4885MMP8 2387/4885MMP14 2995/4885

“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.