SCHEMBL21516633

SCHEMBL21516633

COc1cc(S(C)(=O)=O)ccc1[C@H]1CCCCCN1c1cc(C)nc(N)n1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CRHBP P24387 2/20 0.40
CRHR2 Q13324 2/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
CHRM4 P08173 1/20 0.37
HSP90AA1 P07900 1/20 0.36
CYP2D6 P10635 1/20 0.35
CYP2C9 P11712 1/20 0.35
NR1H2 P55055 1/20 0.35
NR1H3 Q13133 1/20 0.35
TSHR P16473 2/20 0.34
MCOLN3 Q8TDD5 1/20 0.34
ROCK1 Q13464 1/20 0.34
PTGS2 P35354 1/20 0.34
KDM4E B2RXH2 1/20 0.34
MAPT P10636 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
CA1 P00915 2/20 0.34
CA2 P00918 2/20 0.34
HCRTR1 O43613 1/20 0.34
HCRTR2 O43614 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
SCHEMBL29456485 1.00 CRHBP (0.40) CRHBPCRHR2SMN1; SMN2CHRM4HSP90AA1
SCHEMBL21516203 1.00 CRHBP (0.40) CRHBPCRHR2SMN1; SMN2CHRM4HSP90AA1
SCHEMBL21491283 1.00 CRHBP (0.40) CRHBPCRHR2SMN1; SMN2CHRM4HSP90AA1
SCHEMBL21516196 0.88 CRHBP (0.43) CRHBPCRHR2SMN1; SMN2HSP90AA1NR1H2
SCHEMBL29456476 0.88 CRHBP (0.43) CRHBPCRHR2SMN1; SMN2HSP90AA1NR1H2
SCHEMBL23036742 0.88 CRHBP (0.43) CRHBPCRHR2SMN1; SMN2HSP90AA1NR1H2
SCHEMBL21516198 0.85 CRHBP (0.44) CRHBPCRHR2SMN1; SMN2KDM4EMAPT
SCHEMBL29456358 0.85 CRHBP (0.44) CRHBPCRHR2SMN1; SMN2KDM4EMAPT
SCHEMBL21516195 0.84 HSP90AA1 (0.46) CRHBPCRHR2SMN1; SMN2HSP90AA1KDM4E
SCHEMBL21516317 0.84 CRHBP (0.43) CRHBPCRHR2SMN1; SMN2HSP90AA1KDM4E

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 12 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
CN-112236428-B Antiproliferative compounds and uses thereof 默克专利股份有限公司 2025-04-01 CN 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
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 CRHBP 4181/4885CRHR2 4068/4885SMN1; SMN2 2714/4885
US-12195453-B2 Antiproliferation compounds and uses thereof MKI67, MCL1, CCNI CRHBP 4181/4885CRHR2 4068/4885SMN1; SMN2 2714/4885
US-11440907-B1 Antiproliferation compounds and uses thereof MKI67, MCL1, CCNI CRHBP 4181/4885CRHR2 4068/4885SMN1; SMN2 2714/4885
US-20230150993-A1 ANTIPROLIFERATION COMPOUNDS AND USES THEREOF MKI67, MCL1, CCNI CRHBP 4181/4885CRHR2 4068/4885SMN1; SMN2 2714/4885
US-10815225-B2 Antiproliferation compounds and uses thereof MKI67, MCL1, CCNI CRHBP 4181/4885CRHR2 4068/4885SMN1; SMN2 2714/4885
US-20250188070-A1 ANTIPROLIFERATION COMPOUNDS AND USES THEREOF MKI67, MCL1, CCNI CRHBP 4181/4885CRHR2 4068/4885SMN1; SMN2 2714/4885

“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.