SCHEMBL22068089

SCHEMBL22068089

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

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.40
HRH3 Q9Y5N1 2/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
TP53 P04637 1/20 0.38
ALDH1A1 P00352 4/20 0.37
SMN1; SMN2 Q16637 4/20 0.36
MAPT P10636 1/20 0.35
HPGD P15428 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
HSD17B10 Q99714 1/20 0.35
LTA4H P09960 1/20 0.35
CYP1A2 P05177 1/20 0.35
MAPK1 P28482 1/20 0.35
THRA P10827 1/20 0.34
THRB P10828 1/20 0.34
TSHR P16473 1/20 0.34
POLB P06746 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
SCHEMBL21782043 0.82 ALDH1A1 (0.37) GAANPC1RAB9ATP53ALDH1A1
SCHEMBL21768206 0.82 ALDH1A1 (0.37) GAANPC1RAB9ATP53ALDH1A1
SCHEMBL21768249 0.82 ALDH1A1 (0.37) GAANPC1RAB9ATP53ALDH1A1
SCHEMBL21768293 0.76 ALDH1A1 (0.41) GAANPC1RAB9ATP53ALDH1A1
SCHEMBL21768276 0.76 ALDH1A1 (0.41) GAANPC1RAB9ATP53ALDH1A1
SCHEMBL21768279 0.76 ALDH1A1 (0.41) GAANPC1RAB9ATP53ALDH1A1
SCHEMBL26537652 0.75 TP53 (0.41) GAANPC1RAB9ATP53ALDH1A1
SCHEMBL22068553 0.74 TP53 (0.47) GAATP53ALDH1A1SMN1; SMN2MAPT
SCHEMBL16688562 0.74 TP53 (0.47) GAATP53ALDH1A1SMN1; SMN2MAPT
SCHEMBL29284560 0.73 HTT (0.41) HRH3NPC1RAB9AALDH1A1SMN1; SMN2

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 GAA 1440/4885HRH3 4311/4885NPC1 2004/4885
US-20200179529-A1 CYTOTOXIN AND CONJUGATE, USES OF SAME AND PREPARATION METHOD THEREFOR CD2, HAVCR2, CD4 GAA 1440/4885HRH3 4311/4885NPC1 2004/4885

“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.