SCHEMBL20016646

SCHEMBL20016646

CCC(=O)OCc1ccc(NC(=O)[C@H](C)NC(=O)[C@@H](NC(C)C)C(C)C)cc1

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
NPC1 O15118 1/20 0.42
KMT2A Q03164 4/20 0.42
MEN1 O00255 3/20 0.42
LMNA P02545 1/20 0.42
HTT P42858 1/20 0.41
TPSAB1 Q15661 2/20 0.37
GAA P10253 2/20 0.37
PLG P00747 1/20 0.37
PRSS1 P07477 1/20 0.37
TP53 P04637 2/20 0.37
MAPT P10636 1/20 0.37
ELANE P08246 1/20 0.36
LTA4H P09960 1/20 0.36
KLK7 P49862 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
SCHEMBL18499691 0.88 SMN1; SMN2 (0.44) RAB9ASMN1; SMN2NPC1KMT2AMEN1
SCHEMBL26230924 0.88 SMN1; SMN2 (0.44) RAB9ASMN1; SMN2NPC1KMT2AMEN1
SCHEMBL19915498 0.88 SMN1; SMN2 (0.44) RAB9ASMN1; SMN2NPC1KMT2AMEN1
SCHEMBL27104500 0.85 MEN1 (0.42) RAB9ASMN1; SMN2NPC1KMT2AMEN1
SCHEMBL25124522 0.85 SMN1; SMN2 (0.45) RAB9ASMN1; SMN2NPC1KMT2AMEN1
SCHEMBL19372449 0.84 SMN1; SMN2 (0.44) RAB9ASMN1; SMN2NPC1KMT2AMEN1
SCHEMBL25603436 0.83 RAB9A (0.46) RAB9ASMN1; SMN2NPC1KMT2AMEN1
SCHEMBL24833962 0.83 GAA (0.40) RAB9ASMN1; SMN2NPC1KMT2AMEN1
SCHEMBL12245290 0.83 SMN1; SMN2 (0.43) RAB9ASMN1; SMN2NPC1KMT2AMEN1
SCHEMBL24220965 0.81 SIRT2 (0.44) HTT

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-20230001006-A1 AMHRII-BINDING ANTIBODY DRUG CONJUGATES AND THEIR USE THEREOF IN THE TREATMENT OF CANCERS EXELIXIS, INC. 2023-01-05 US disclosed
US-9931420-B2 Methods of making DLL3 antibody drug conjugates ABBVIE STEMCENTRX LLC (US) 2018-04-03 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 (1 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-20230001006-A1 AMHRII-BINDING ANTIBODY DRUG CONJUGATES AND THEIR USE THEREOF IN THE TREATMENT OF CANCERS LHCGR, INHA, GNRHR RAB9A 4031/4885SMN1; SMN2 2709/4885NPC1 2628/4885

“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.