SCHEMBL21781860

SCHEMBL21781860

CC(C)(C)OC(=O)Nc1ccc(CNC(=O)C[C@@H](N)Cc2ccccc2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 1/20 0.48
CA2 P00918 1/20 0.48
CA9 Q16790 1/20 0.48
ATM Q13315 1/20 0.47
MAPT P10636 3/20 0.47
TDP1 Q9NUW8 3/20 0.47
KDM4E B2RXH2 2/20 0.47
GLS O94925 1/20 0.46
AURKA O14965 1/20 0.44
RPS6KB1 P23443 1/20 0.44
PPARG P37231 1/20 0.44
PPARA Q07869 1/20 0.44
KLK5 Q9Y337 1/20 0.44
HDAC1 Q13547 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43
PTPN1 P18031 1/20 0.43
CTSS P25774 2/20 0.43
CTSK P43235 2/20 0.43
CTSL P07711 1/20 0.43
CTSB P07858 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
SCHEMBL21782036 1.00 NAMPT (0.48) NAMPTCA2CA9ATMMAPT
SCHEMBL21781781 0.84 NAMPT (0.50) NAMPTATMMAPTTDP1KDM4E
SCHEMBL21138222 0.84 NAMPT (0.50) NAMPTATMMAPTTDP1KDM4E
SCHEMBL21137676 0.84 NAMPT (0.50) NAMPTATMMAPTTDP1KDM4E
SCHEMBL21768274 0.84 SLC1A3 (0.48) CA2CA9PTPN1L3MBTL1CA12
SCHEMBL21768247 0.84 SLC1A3 (0.48) CA2CA9PTPN1L3MBTL1CA12
SCHEMBL27577525 0.84 PPARG (0.50) ATMGLSPPARGPPARAHDAC8
SCHEMBL21768245 0.84 SLC1A3 (0.48) CA2CA9PTPN1L3MBTL1CA12
SCHEMBL28747809 0.84 PPARG (0.50) ATMGLSPPARGPPARAHDAC8
SCHEMBL6804014 0.83 GLS (0.59) NAMPTCA2CA9MAPTGLS

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 NAMPT 4254/4885CA2 3407/4885CA9 2812/4885
US-20200179529-A1 CYTOTOXIN AND CONJUGATE, USES OF SAME AND PREPARATION METHOD THEREFOR CD2, HAVCR2, CD4 NAMPT 4254/4885CA2 3407/4885CA9 2812/4885

“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.