SCHEMBL21781975

SCHEMBL21781975

C[C@H](N)C(=O)NCc1ccc(NC(=O)OC(C)(C)C)cc1

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 2/20 0.50
CYP17A1 P05093 1/20 0.50
CARM1 Q86X55 6/20 0.48
PRMT6 Q96LA8 6/20 0.48
AURKA O14965 1/20 0.47
RPS6KB1 P23443 1/20 0.47
HDAC1 Q13547 1/20 0.47
HDAC6 Q9UBN7 1/20 0.47
MAPT P10636 3/20 0.46
TDP1 Q9NUW8 3/20 0.46
NPSR1 Q6W5P4 2/20 0.46
XBP1 P17861 1/20 0.46
GPR55 Q9Y2T6 1/20 0.46
MAPKAPK2 P49137 3/20 0.45
GAA P10253 1/20 0.44
EPHX2 P34913 1/20 0.43

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
SCHEMBL22068461 0.90 NAMPT (0.48) NAMPTCYP17A1AURKARPS6KB1HDAC1
SCHEMBL22068087 0.88 MAPT (0.47) NAMPTCYP17A1AURKARPS6KB1HDAC1
SCHEMBL8245694 0.83 CYP17A1 (0.54) NAMPTCYP17A1AURKARPS6KB1HDAC1
SCHEMBL21138222 0.83 NAMPT (0.50) NAMPTCYP17A1AURKARPS6KB1HDAC1
SCHEMBL21137676 0.83 NAMPT (0.50) NAMPTCYP17A1AURKARPS6KB1HDAC1
SCHEMBL21781781 0.83 NAMPT (0.50) NAMPTCYP17A1AURKARPS6KB1HDAC1
SCHEMBL21781780 0.82 NAMPT (0.47) NAMPTCYP17A1AURKARPS6KB1HDAC1
SCHEMBL16523129 0.82 CYP17A1 (0.56) NAMPTCYP17A1AURKARPS6KB1HDAC1
SCHEMBL21781875 0.81 CYP17A1 (0.52) NAMPTCYP17A1AURKARPS6KB1HDAC1
SCHEMBL21768217 0.80 NPC1 (0.51) CARM1PRMT6

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-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
CN-110312730-A Cytotoxin and conjugate, its Use and preparation method 四川科伦博泰生物医药股份有限公司 2019-10-08 CN 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 NAMPT 4254/4885CYP17A1 3494/4885CARM1 1474/4885
US-20200179529-A1 CYTOTOXIN AND CONJUGATE, USES OF SAME AND PREPARATION METHOD THEREFOR CD2, HAVCR2, CD4 NAMPT 4254/4885CYP17A1 3494/4885CARM1 1474/4885

“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.