SCHEMBL21768293

SCHEMBL21768293

COC(=O)[C@H]1CCN(C(=O)CCC(=O)O)[C@@H](C)C1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.41
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
TP53 P04637 1/20 0.39
GAA P10253 1/20 0.38
SMN1; SMN2 Q16637 5/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
OPRK1 P41145 1/20 0.36
HTT P42858 1/20 0.36
MAPT P10636 1/20 0.36
HPGD P15428 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
HSD17B10 Q99714 1/20 0.36
POLB P06746 1/20 0.35
KDM4E B2RXH2 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
ACE P12821 1/20 0.34

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
SCHEMBL21768276 1.00 ALDH1A1 (0.41) ALDH1A1NPC1RAB9ATP53GAA
SCHEMBL21768279 1.00 ALDH1A1 (0.41) ALDH1A1NPC1RAB9ATP53GAA
SCHEMBL29284584 0.88 NPC1 (0.38) ALDH1A1NPC1RAB9ATP53GAA
SCHEMBL16701867 0.82 TP53 (0.45) ALDH1A1NPC1RAB9ATP53GAA
SCHEMBL21781787 0.81 NPC1 (0.36) ALDH1A1NPC1RAB9ATP53GAA
SCHEMBL30988369 0.81 NPC1 (0.36) ALDH1A1NPC1RAB9ATP53GAA
SCHEMBL21781790 0.80 NPC1 (0.36) ALDH1A1NPC1RAB9ATP53GAA
SCHEMBL16639720 0.77 ALDH1A1 (0.64) ALDH1A1NPC1RAB9ATP53GAA
SCHEMBL22068089 0.76 GAA (0.40) ALDH1A1NPC1RAB9ATP53GAA
SCHEMBL24927983 0.72 SMN1; SMN2 (0.43) NPC1RAB9ATP53SMN1; SMN2KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110312730-B Cytotoxins and conjugates, uses thereof and methods of preparation 四川科伦博泰生物医药股份有限公司 2024-06-18 CN disclosed
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-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
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
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 ALDH1A1 3938/4885NPC1 2004/4885RAB9A 1266/4885
US-20200179529-A1 CYTOTOXIN AND CONJUGATE, USES OF SAME AND PREPARATION METHOD THEREFOR CD2, HAVCR2, CD4 ALDH1A1 3938/4885NPC1 2004/4885RAB9A 1266/4885

“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.