SCHEMBL21360006

SCHEMBL21360006

COC(=O)c1ncccc1OCCO[Si](C)(C)C(C)(C)C

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.45
ALDH1A1 P00352 2/20 0.43
S1PR4 O95977 1/20 0.39
KMT2A Q03164 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
MAP2K1 Q02750 1/20 0.37
GAA P10253 2/20 0.37
GRM5 P41594 1/20 0.36
PTPN1 P18031 1/20 0.35
NMT2 O60551 1/20 0.35
NMT1 P30419 1/20 0.35
CA12 O43570 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA9 Q16790 1/20 0.35
CA14 Q9ULX7 1/20 0.35
MTNR1A P48039 1/20 0.35
MTNR1B P49286 1/20 0.35
KDM4E B2RXH2 1/20 0.35
BRD4 O60885 1/20 0.35

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
SCHEMBL2450038 0.79 L3MBTL1 (0.53) L3MBTL1ALDH1A1S1PR4KMT2ATDP1
SCHEMBL3602782 0.76 L3MBTL1 (0.55) L3MBTL1ALDH1A1KMT2AGAAGRM5
SCHEMBL3653582 0.76 L3MBTL1 (0.58) L3MBTL1ALDH1A1KMT2ATDP1MAP2K1
SCHEMBL21957898 0.75 TDP1 (0.43) L3MBTL1ALDH1A1TDP1MAP2K1KDM4E
SCHEMBL238858 0.75 S1PR4 (0.50) ALDH1A1S1PR4KMT2ATDP1GAA
SCHEMBL31421964 0.75 CA12 (0.39) L3MBTL1ALDH1A1S1PR4CA12CA1
SCHEMBL31421962 0.75 CA12 (0.39) L3MBTL1ALDH1A1S1PR4CA12CA1
SCHEMBL28269519 0.75 L3MBTL1 (0.54) L3MBTL1ALDH1A1KMT2ATDP1MAP2K1
SCHEMBL24977254 0.74 PPARD (0.42) L3MBTL1ALDH1A1TDP1KDM4E
SCHEMBL1173445 0.74 L3MBTL1 (0.50) L3MBTL1ALDH1A1KMT2AGRM5

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-20210040127-A1 ARGINASE INHIBITORS AND METHODS OF USE MERCK SHARP & DOHME CORP. (US) 2021-02-11 US disclosed
EP-3765006-A1 ARGINASE INHIBITORS AND METHODS OF USE Merck Sharp&Dohme Corp. (US) 2021-01-20 EP disclosed
WO-2019177873-A1 ARGINASE INHIBITORS AND METHODS OF USE MERCK SHARP & DOHME CORP. (US) 2019-09-19 WO 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-20210040127-A1 ARGINASE INHIBITORS AND METHODS OF USE ARG1, ARG2, PRMT1 L3MBTL1 4590/4885ALDH1A1 383/4885S1PR4 1414/4885

“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.