SCHEMBL22045503

SCHEMBL22045503

CC(C)(C)OC(=O)NC(C)(I)C(=O)O

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.38
GAA P10253 2/20 0.38
KMT2A Q03164 2/20 0.38
CTSS P25774 5/20 0.37
CTSK P43235 5/20 0.37
TDP1 Q9NUW8 1/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
DGAT1 O75907 1/20 0.35
CA1 P00915 2/20 0.35
CA2 P00918 2/20 0.35
CA7 P43166 2/20 0.35
BTK Q06187 1/20 0.35
CTSL P07711 1/20 0.35
CTSB P07858 1/20 0.35
AKT1 P31749 1/20 0.34
CA12 O43570 2/20 0.33
CA14 Q9ULX7 2/20 0.33
APLNR P35414 1/20 0.33

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
SCHEMBL13744302 1.00 MEN1 (0.38) MEN1GAAKMT2ACTSSCTSK
SCHEMBL76832 0.77 KDM4C (0.41) MEN1GAAKMT2ACTSSCTSK
SCHEMBL25229366 0.77 MEN1 (0.44) MEN1GAAKMT2ACTSSCTSK
SCHEMBL2512445 0.77 MEN1 (0.40) MEN1GAAKMT2ACTSSCTSK
SCHEMBL19373021 0.76 DGAT1 (0.35) MEN1GAAKMT2ATDP1DGAT1
SCHEMBL25811478 0.76 CTSK (0.41) MEN1GAAKMT2ACTSSCTSK
SCHEMBL21834933 0.76 KDM4C (0.39) MEN1GAAKMT2ACTSSCTSK
SCHEMBL8144616 0.76 MEN1 (0.39) MEN1GAAKMT2ACTSSCTSK
SCHEMBL16296168 0.76 KDM4C (0.39) MEN1GAAKMT2ACTSSCTSK
SCHEMBL22577405 0.74 MEN1 (0.38) MEN1GAAKMT2ACTSSCTSK

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
EP-3862023-A1 CONJUGATES OF CELL-BINDING MOLECULES WITH CYTOTOXIC AGENTS Hangzhou DAC Biotech Co, Ltd (CN) 2021-08-11 EP disclosed
WO-2020258893-A1 A FORMULATION OF A CONJUGATE OF A TUBULYSIN ANALOG TO A CELL-BINDING MOLECULE HANGZHOU DAC BIOTECH CO., LTD (CN) 2020-12-30 WO disclosed
US-20200172480-A1 CONJUGATES OF CELL BINDING MOLECULES WITH CYTOTOXIC AGENTS HANGZHOU DAC BIOTECH CO., LTD. (CN) 2020-06-04 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-20200172480-A1 CONJUGATES OF CELL BINDING MOLECULES WITH CYTOTOXIC AGENTS CD4, CD2, CD47 MEN1 163/4885GAA 2475/4885KMT2A 2615/4885

“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.