SCHEMBL22068098

SCHEMBL22068098

CCOC(=O)C1CCN(C(=O)CCC(=O)N[C@H](C(=O)N[C@@H](CCCNC(N)=O)C(=O)Nc2ccc(CNC)cc2)C(C)C)CC1

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.40
MAP1LC3B Q9GZQ8 2/20 0.38
ALDH1A1 P00352 3/20 0.38
HPGD P15428 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
HTT P42858 2/20 0.38
KMT2A Q03164 3/20 0.38
KDM4E B2RXH2 1/20 0.37
FPR2 P25090 1/20 0.37
LMNA P02545 1/20 0.36
TSHR P16473 1/20 0.36
RAB9A P51151 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
MEN1 O00255 1/20 0.36
ATM Q13315 1/20 0.36

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
SCHEMBL29284586 0.93 NPC1 (0.41) NPC1MAP1LC3BALDH1A1HPGDSMN1; SMN2
SCHEMBL29284569 0.93 NPC1 (0.41) NPC1MAP1LC3BALDH1A1HPGDSMN1; SMN2
SCHEMBL29284547 0.93 NPC1 (0.41) NPC1MAP1LC3BALDH1A1HPGDSMN1; SMN2
SCHEMBL22068096 0.91 NPC1 (0.41) NPC1MAP1LC3BALDH1A1HPGDSMN1; SMN2
SCHEMBL21781879 0.84 MAP1LC3B (0.37) MAP1LC3BSMN1; SMN2HTTKMT2A
SCHEMBL19431114 0.81 MAP1LC3B (0.42) MAP1LC3BKMT2A
SCHEMBL17987754 0.81 MAP1LC3B (0.37) MAP1LC3BALDH1A1KMT2A
SCHEMBL19431113 0.80 MAP1LC3B (0.42) MAP1LC3BKMT2A
SCHEMBL19431103 0.80 MAP1LC3B (0.40) MAP1LC3BKMT2A
SCHEMBL19431115 0.79 MAP1LC3B (0.42) MAP1LC3BKMT2AMEN1

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 2 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

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 NPC1 2004/4885MAP1LC3B 1411/4885ALDH1A1 3938/4885
US-20200179529-A1 CYTOTOXIN AND CONJUGATE, USES OF SAME AND PREPARATION METHOD THEREFOR CD2, HAVCR2, CD4 NPC1 2004/4885MAP1LC3B 1411/4885ALDH1A1 3938/4885

“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.