SCHEMBL21491130

SCHEMBL21491130

Cc1cc(S(C)(=O)=O)ccc1C1CCCCCN1C=O

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CFB P00751 1/20 0.38
PTGS2 P35354 3/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
CHRM2 P08172 1/20 0.36
CHRM1 P11229 1/20 0.36
SLC6A9 P48067 2/20 0.35
ALDH1A1 P00352 1/20 0.35
TDP1 Q9NUW8 2/20 0.34
CYP2D6 P10635 1/20 0.34
RORC P51449 1/20 0.34
TRPA1 O75762 1/20 0.34

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
SCHEMBL31472453 1.00 CFB (0.38) CFBPTGS2MEN1KMT2ACHRM2
SCHEMBL29456508 1.00 CFB (0.38) CFBPTGS2MEN1KMT2ACHRM2
SCHEMBL21491186 0.84 TSHR (0.41) ALDH1A1
SCHEMBL29849328 0.84 TSHR (0.41) ALDH1A1
SCHEMBL23036825 0.84 TSHR (0.41) ALDH1A1
SCHEMBL3715027 0.75 OPRM1 (0.39) MEN1KMT2AALDH1A1TDP1
SCHEMBL21516196 0.72 CRHBP (0.43) CFBPTGS2MEN1KMT2AALDH1A1
SCHEMBL29456476 0.72 CRHBP (0.43) CFBPTGS2MEN1KMT2AALDH1A1
SCHEMBL23036742 0.72 CRHBP (0.43) CFBPTGS2MEN1KMT2AALDH1A1
SCHEMBL21491399 0.70 ALDH1A1 (0.37) MEN1KMT2AALDH1A1

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 14 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-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-B1 ANTIPROLIFERATION COMPOUNDS AND USES THEREOF MERCK PATENT GMBH (DE) 2022-03-16 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-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
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 CFB 4327/4885PTGS2 576/4885MEN1 1423/4885
US-12195453-B2 Antiproliferation compounds and uses thereof MKI67, MCL1, CCNI CFB 4327/4885PTGS2 576/4885MEN1 1423/4885
US-11440907-B1 Antiproliferation compounds and uses thereof MKI67, MCL1, CCNI CFB 4327/4885PTGS2 576/4885MEN1 1423/4885
US-20230150993-A1 ANTIPROLIFERATION COMPOUNDS AND USES THEREOF MKI67, MCL1, CCNI CFB 4327/4885PTGS2 576/4885MEN1 1423/4885
US-10815225-B2 Antiproliferation compounds and uses thereof MKI67, MCL1, CCNI CFB 4327/4885PTGS2 576/4885MEN1 1423/4885
US-20250188070-A1 ANTIPROLIFERATION COMPOUNDS AND USES THEREOF MKI67, MCL1, CCNI CFB 4327/4885PTGS2 576/4885MEN1 1423/4885

“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.