SCHEMBL21781849

SCHEMBL21781849

CC(C)(C)OC(=O)Nc1ccc(CNC(=O)[C@@H](N)CCS(C)(=O)=O)cc1

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CA1 P00915 4/20 0.45
CA2 P00918 4/20 0.45
NAMPT P43490 2/20 0.44
CYP17A1 P05093 1/20 0.44
AURKA O14965 1/20 0.43
RPS6KB1 P23443 1/20 0.43
MAPKAPK2 P49137 3/20 0.42
HDAC1 Q13547 2/20 0.42
HDAC6 Q9UBN7 1/20 0.42
BACE1 P56817 3/20 0.42
SPHK1 Q9NYA1 1/20 0.41

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
SCHEMBL21768255 0.83 SPHK1 (0.45) CA1CA2SPHK1
SCHEMBL21768253 0.83 SPHK1 (0.45) CA1CA2SPHK1
SCHEMBL22068087 0.83 MAPT (0.47) NAMPTCYP17A1AURKARPS6KB1MAPKAPK2
SCHEMBL21781975 0.82 NAMPT (0.50) NAMPTCYP17A1AURKARPS6KB1MAPKAPK2
SCHEMBL21137676 0.81 NAMPT (0.50) CA1NAMPTCYP17A1AURKARPS6KB1
SCHEMBL21138222 0.81 NAMPT (0.50) CA1NAMPTCYP17A1AURKARPS6KB1
SCHEMBL21781781 0.81 NAMPT (0.50) CA1NAMPTCYP17A1AURKARPS6KB1
SCHEMBL22068461 0.80 NAMPT (0.48) CA1CA2NAMPTCYP17A1AURKA
SCHEMBL21781780 0.80 NAMPT (0.47) CA1CA2NAMPTCYP17A1AURKA
SCHEMBL8245694 0.77 CYP17A1 (0.54) CA1CA2NAMPTCYP17A1AURKA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11207420-B2 Cytotoxin and conjugate, uses of same and preparation method therefor SICHUAN KELUN-BIOTECH BIOPHARMACEUTICAL CO., LTD. (CN) 2021-12-28 US disclosed
US-20200179529-A1 CYTOTOXIN AND CONJUGATE, USES OF SAME AND PREPARATION METHOD THEREFOR SICHUAN KELUN-BIOTECH BIOPHARMACEUTICAL CO., LTD. (CN) 2020-06-11 US disclosed
EP-3617221-A1 CYTOTOXIN AND CONJUGATE, USES OF SAME, AND PREPARATION METHOD THEREFOR Sichuan Kelun-Biotech Biopharmaceutical Co., Ltd. (CN) 2020-03-04 EP 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-11207420-B2 Cytotoxin and conjugate, uses of same and preparation method therefor CD2, HAVCR2, CD4 CA1 1961/4885CA2 3407/4885NAMPT 4254/4885
US-20200179529-A1 CYTOTOXIN AND CONJUGATE, USES OF SAME AND PREPARATION METHOD THEREFOR CD2, HAVCR2, CD4 CA1 1961/4885CA2 3407/4885NAMPT 4254/4885

“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.