SCHEMBL21781875

SCHEMBL21781875

CC(C)(C)OC(=O)Nc1ccc(CNC(=O)CN)cc1

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP17A1 P05093 1/20 0.52
NAMPT P43490 2/20 0.52
AURKA O14965 1/20 0.49
RPS6KB1 P23443 1/20 0.49
CA1 P00915 4/20 0.49
CA2 P00918 4/20 0.49
HDAC1 Q13547 1/20 0.48
HDAC6 Q9UBN7 1/20 0.48
MAPKAPK2 P49137 3/20 0.46
GAA P10253 1/20 0.46
MAPT P10636 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
PTPN11 Q06124 1/20 0.45
EPHX2 P34913 1/20 0.45
FPR3 P25089 1/20 0.44
FPR2 P25090 1/20 0.44
TPSAB1 Q15661 1/20 0.44

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
SCHEMBL15692011 0.89 NAMPT (0.58) CYP17A1NAMPTAURKARPS6KB1CA1
SCHEMBL23568933 0.88 CA1 (0.56) NAMPTCA1CA2HDAC1GAA
SCHEMBL8245694 0.86 CYP17A1 (0.54) CYP17A1NAMPTAURKARPS6KB1CA1
SCHEMBL7698017 0.85 CYP17A1 (0.52) CYP17A1NAMPTCA1CA2HDAC1
SCHEMBL16523129 0.84 CYP17A1 (0.56) CYP17A1NAMPTAURKARPS6KB1HDAC1
SCHEMBL6804014 0.83 GLS (0.59) CYP17A1NAMPTCA1CA2HDAC1
SCHEMBL31016329 0.82 CYP17A1 (0.57) CYP17A1NAMPTAURKARPS6KB1CA1
SCHEMBL34480 0.82 CYP17A1 (0.59) CYP17A1NAMPTAURKARPS6KB1MAPKAPK2
SCHEMBL21661941 0.82 HDAC6 (0.63) CYP17A1NAMPTHDAC1HDAC6EPHX2
SCHEMBL21781975 0.81 NAMPT (0.50) CYP17A1NAMPTAURKARPS6KB1HDAC1

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 CYP17A1 3494/4885NAMPT 4254/4885AURKA 1159/4885
US-20200179529-A1 CYTOTOXIN AND CONJUGATE, USES OF SAME AND PREPARATION METHOD THEREFOR CD2, HAVCR2, CD4 CYP17A1 3494/4885NAMPT 4254/4885AURKA 1159/4885

“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.