SCHEMBL21491100

SCHEMBL21491100

COC(=O)c1ccc(Cl)c(C2COCCCN2C(=O)OC(C)(C)C)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 2/20 0.46
HSP90AB1 P08238 2/20 0.46
ALDH1A1 P00352 5/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
TSHR P16473 5/20 0.40
UCHL1 P09936 1/20 0.39
USP30 Q70CQ3 1/20 0.39
LMNA P02545 3/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
MAPT P10636 1/20 0.39
HTT P42858 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
NPC1 O15118 1/20 0.38
NR1H2 P55055 1/20 0.38
NR1H3 Q13133 1/20 0.38
OPRK1 P41145 1/20 0.37
HDAC1 Q13547 1/20 0.37
HDAC6 Q9UBN7 1/20 0.37
MALT1 Q9UDY8 1/20 0.37

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
SCHEMBL31472366 1.00 HSP90AA1 (0.46) HSP90AA1HSP90AB1ALDH1A1L3MBTL1TSHR
SCHEMBL29456427 0.92 HSP90AA1 (0.44) HSP90AA1HSP90AB1ALDH1A1L3MBTL1TSHR
SCHEMBL31472473 0.92 HSP90AA1 (0.44) HSP90AA1HSP90AB1ALDH1A1L3MBTL1TSHR
SCHEMBL21491223 0.92 HSP90AA1 (0.44) HSP90AA1HSP90AB1ALDH1A1L3MBTL1TSHR
SCHEMBL31472390 0.85 NR1H2 (0.42) ALDH1A1TSHRLMNAMEN1KMT2A
SCHEMBL21491427 0.85 NR1H2 (0.42) ALDH1A1TSHRLMNAMEN1KMT2A
SCHEMBL31472404 0.85 TSHR (0.40) ALDH1A1TSHRUCHL1USP30LMNA
SCHEMBL21491244 0.85 TSHR (0.40) ALDH1A1TSHRUCHL1USP30LMNA
SCHEMBL31472401 0.83 ATAD2 (0.42) ALDH1A1TSHRUCHL1USP30LMNA
SCHEMBL21491336 0.83 ATAD2 (0.42) ALDH1A1TSHRUCHL1USP30LMNA

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 13 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250188070-A1 ANTIPROLIFERATION COMPOUNDS AND USES THEREOF VERTEX PHARMACEUTICALS INCORPORATED 2025-06-12 US disclosed
US-12195453-B2 Antiproliferation compounds and uses thereof MERCK PATENT GMBH (DE) 2025-01-14 US disclosed
EP-4043460-B1 ANTIPROLIFERATION COMPOUNDS AND USES THEREOF MERCK PATENT GMBH (DE) 2024-06-05 EP disclosed
US-20230150993-A1 ANTIPROLIFERATION COMPOUNDS AND USES THEREOF VERTEX PHARMACEUTICALS INCORPORATED 2023-05-18 US disclosed
US-20230150993-A1 ANTIPROLIFERATION COMPOUNDS AND USES THEREOF VERTEX PHARMACEUTICALS INCORPORATED 2023-05-18 US disclosed
US-20230150993-A1 ANTIPROLIFERATION COMPOUNDS AND USES THEREOF VERTEX PHARMACEUTICALS INCORPORATED 2023-05-18 US disclosed
US-11440907-B1 Antiproliferation compounds and uses thereof MERCK PATENT GMBH (DE) 2022-09-13 US disclosed
EP-4043460-A1 ANTIPROLIFERATION COMPOUNDS AND USES THEREOF Merck Patent GmbH (DE) 2022-08-17 EP disclosed
EP-3784666-B1 ANTIPROLIFERATION COMPOUNDS AND USES THEREOF MERCK PATENT GMBH (DE) 2022-03-16 EP disclosed
EP-3784666-A1 ANTIPROLIFERATION COMPOUNDS AND USES THEREOF Merck Patent GmbH (DE) 2021-03-03 EP disclosed
CN-112236428-A Antiproliferative compounds and uses thereof 默克专利股份有限公司 2021-01-15 CN disclosed
US-10815225-B2 Antiproliferation compounds and uses thereof MERCK PATENT GMBH (DE) 2020-10-27 US disclosed
US-20190322658-A1 ANTIPROLIFERATION COMPOUNDS AND USES THEREOF MERCK PATENT GMBH (DE) 2019-10-24 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 (6 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-20190322658-A1 ANTIPROLIFERATION COMPOUNDS AND USES THEREOF MKI67, MCL1, CCNI HSP90AA1 1246/4885HSP90AB1 771/4885ALDH1A1 263/4885
US-12195453-B2 Antiproliferation compounds and uses thereof MKI67, MCL1, CCNI HSP90AA1 1246/4885HSP90AB1 771/4885ALDH1A1 263/4885
US-11440907-B1 Antiproliferation compounds and uses thereof MKI67, MCL1, CCNI HSP90AA1 1246/4885HSP90AB1 771/4885ALDH1A1 263/4885
US-20230150993-A1 ANTIPROLIFERATION COMPOUNDS AND USES THEREOF MKI67, MCL1, CCNI HSP90AA1 1246/4885HSP90AB1 771/4885ALDH1A1 263/4885
US-10815225-B2 Antiproliferation compounds and uses thereof MKI67, MCL1, CCNI HSP90AA1 1246/4885HSP90AB1 771/4885ALDH1A1 263/4885
US-20250188070-A1 ANTIPROLIFERATION COMPOUNDS AND USES THEREOF MKI67, MCL1, CCNI HSP90AA1 1246/4885HSP90AB1 771/4885ALDH1A1 263/4885

“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.