SCHEMBL20160081

SCHEMBL20160081

COC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](C)[C@@H](OC)[C@@H]1CCCN1

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.53
THRB P10828 1/20 0.53
CYP2C9 P11712 1/20 0.53
CYP2C19 P33261 1/20 0.53
HSD17B10 Q99714 1/20 0.53
GAA P10253 1/20 0.47
SLC6A3 Q01959 4/20 0.47
SLC6A2 P23975 2/20 0.47
SLC6A4 P31645 1/20 0.47
DHFR P00374 1/20 0.47
ATM Q13315 2/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
LMNA P02545 1/20 0.46
TSHR P16473 1/20 0.46
TDP1 Q9NUW8 1/20 0.46

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
SCHEMBL903575 1.00 ALDH1A1 (0.53) ALDH1A1THRBCYP2C9CYP2C19HSD17B10
SCHEMBL20346848 1.00 ALDH1A1 (0.53) ALDH1A1THRBCYP2C9CYP2C19HSD17B10
Trifluoroacetic Acid SCHEMBL13731716 0.95 ALDH1A1 (0.48) ALDH1A1THRBCYP2C9CYP2C19HSD17B10
SCHEMBL903526 0.93 ALDH1A1 (0.45) ALDH1A1THRBCYP2C9CYP2C19HSD17B10
SCHEMBL15292153 0.93 MME (0.47) ALDH1A1THRBCYP2C9CYP2C19HSD17B10
SCHEMBL16197554 0.93 MME (0.47) ALDH1A1THRBCYP2C9CYP2C19HSD17B10
SCHEMBL16197553 0.93 MME (0.47) ALDH1A1THRBCYP2C9CYP2C19HSD17B10
SCHEMBL18812052 0.93 MME (0.47) ALDH1A1THRBCYP2C9CYP2C19HSD17B10
SCHEMBL20454197 0.93 MME (0.47) ALDH1A1THRBCYP2C9CYP2C19HSD17B10
SCHEMBL27256763 0.93 MME (0.47) ALDH1A1THRBCYP2C9CYP2C19HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2022078524-A2 SPECIFIC CONJUGATION OF AN ANTIBODY HANGZHOU DAC BIOTECH CO., LTD. (CN) 2022-04-21 WO disclosed
US-20210353777-A1 SPECIFIC CONJUGATION LINKERS, SPECIFIC IMMUNOCONJUGATES THEREOF, METHODS OF MAKING AND USES SUCH CONJUGATES THEREOF HANGZHOU DAC BIOTECH CO., LTD. (CN) 2021-11-18 US disclosed
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-20210052747-A1 SPECIFIC CONJUGATION LINKERS, SPECIFIC IMMUNOCONJUGATES THEREOF, METHODS OF MAKING AND USES SUCH CONJUGATES THEREOF HANGZHOU DAC BIOTECH CO., LTD. (CN) 2021-02-25 US disclosed
WO-2018086139-A1 CONJUGATION LINKERS, CELL BINDING MOLECULE-DRUG CONJUGATES CONTAINING THE LIKERS, METHODS OF MAKING AND USES SUCH CONJUGATES WITH THE LINKERS HANGZHOU DAC BIOTECH CO., LTD (CN) 2018-05-17 WO 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-20210052747-A1 SPECIFIC CONJUGATION LINKERS, SPECIFIC IMMUNOCONJUGATES THEREOF, METHODS OF MAKING AND USES SUCH CONJUGATES THEREOF SLC25A1, GCDH, FH ALDH1A1 743/4885THRB 3202/4885CYP2C9 2528/4885
US-20210353777-A1 SPECIFIC CONJUGATION LINKERS, SPECIFIC IMMUNOCONJUGATES THEREOF, METHODS OF MAKING AND USES SUCH CONJUGATES THEREOF SLC25A1, GCDH, FH ALDH1A1 743/4885THRB 3202/4885CYP2C9 2528/4885
US-20210346523-A1 SPECIFIC CONJUGATION LINKERS, SPECIFIC IMMUNOCONJUGATES THEREOF, METHODS OF MAKING AND USES SUCH CONJUGATES THEREOF SLC25A1, GCDH, FH ALDH1A1 743/4885THRB 3202/4885CYP2C9 2528/4885

“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.