SCHEMBL22068096

SCHEMBL22068096

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

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.41
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 0.38
FPR2 P25090 1/20 0.38
SIRT2 Q8IXJ6 1/20 0.37
SIRT1 Q96EB6 1/20 0.37
MAP1LC3B Q9GZQ8 1/20 0.37
LMNA P02545 1/20 0.37
TSHR P16473 1/20 0.37
RAB9A P51151 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
HSD17B10 Q99714 1/20 0.37
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
SCHEMBL29284569 0.98 NPC1 (0.41) NPC1ALDH1A1HPGDSMN1; SMN2HTT
SCHEMBL29284586 0.92 NPC1 (0.41) NPC1ALDH1A1HPGDSMN1; SMN2HTT
SCHEMBL29284547 0.92 NPC1 (0.41) NPC1ALDH1A1HPGDSMN1; SMN2HTT
SCHEMBL22068098 0.91 NPC1 (0.40) NPC1ALDH1A1HPGDSMN1; SMN2HTT
SCHEMBL22068492 0.84 MAP1LC3B (0.36) KMT2AMAP1LC3BMEN1
SCHEMBL29284554 0.82 MAP1LC3B (0.40) MAP1LC3B
SCHEMBL22068466 0.82 KLKB1 (0.37) HTTMAP1LC3B
SCHEMBL21781876 0.82 MAP1LC3B (0.37) SMN1; SMN2HTTKMT2AMAP1LC3B
SCHEMBL22068547 0.82 MAP1LC3B (0.36) MAP1LC3B
SCHEMBL20512995 0.81 HTT (0.45) ALDH1A1HTTSIRT2SIRT1

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 2004/4885ALDH1A1 3938/4885HPGD 4856/4885
US-20200179529-A1 CYTOTOXIN AND CONJUGATE, USES OF SAME AND PREPARATION METHOD THEREFOR CD2, HAVCR2, CD4 NPC1 2004/4885ALDH1A1 3938/4885HPGD 4856/4885

“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.