SCHEMBL21768294

SCHEMBL21768294

CC(C)CC(N)C(=O)NCc1ccc(NC(=O)O)cc1

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
AAK1 Q2M2I8 2/20 0.51
NPC1 O15118 2/20 0.47
LARS1 Q9P2J5 2/20 0.46
CIT O14578 3/20 0.45
ANPEP P15144 1/20 0.44
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
TP53 P04637 1/20 0.43
HPGD P15428 1/20 0.43
RAB9A P51151 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
PTPN1 P18031 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
SCHEMBL21768292 1.00 AAK1 (0.51) AAK1NPC1LARS1CITANPEP
SCHEMBL22522208 0.85 ANPEP (0.58) NPC1ANPEPMEN1KMT2AHPGD
SCHEMBL21768215 0.85 NPC1 (0.51) NPC1MEN1KMT2ATP53HPGD
SCHEMBL21768217 0.85 NPC1 (0.51) NPC1MEN1KMT2ATP53HPGD
SCHEMBL1792751 0.84 KMT2A (0.59) LARS1ANPEPMEN1KMT2A
SCHEMBL22522245 0.84 KMT2A (0.59) LARS1ANPEPMEN1KMT2A
SCHEMBL4743866 0.84 KMT2A (0.59) LARS1ANPEPMEN1KMT2A
SCHEMBL21768220 0.83 NPC1 (0.49) NPC1MEN1KMT2ATP53HPGD
SCHEMBL21768221 0.83 NPC1 (0.49) NPC1MEN1KMT2ATP53HPGD
Hydrochloric Acid SCHEMBL10520633 0.82 KMT2A (0.58) LARS1ANPEPMEN1KMT2A

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 AAK1 4219/4885NPC1 2004/4885LARS1 1150/4885
US-20200179529-A1 CYTOTOXIN AND CONJUGATE, USES OF SAME AND PREPARATION METHOD THEREFOR CD2, HAVCR2, CD4 AAK1 4219/4885NPC1 2004/4885LARS1 1150/4885

“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.