SCHEMBL22116765

SCHEMBL22116765

COC(=O)c1ccc(C#Cc2ccccc2NS(=O)(=O)c2cccc3c(Cl)ccnc23)cn1

nearest known ligand 0.70

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ SLC16A3 O15427 20/20 0.70
▸ OPRD1 P41143 1/20 0.54
▸ HTR6 P50406 1/20 0.54
▸ SLC6A3 Q01959 1/20 0.54

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
SCHEMBL22116788 0.91 SLC16A3 (0.82) SLC16A3OPRD1HTR6SLC6A3
SCHEMBL30188143 0.91 SLC16A3 (0.82) SLC16A3OPRD1HTR6SLC6A3
SCHEMBL22116827 0.87 SLC16A3 (0.60) SLC16A3OPRD1HTR6SLC6A3
SCHEMBL22116658 0.85 SLC16A3 (0.55) SLC16A3OPRD1HTR6SLC6A3
SCHEMBL30188063 0.85 SLC16A3 (0.87) SLC16A3OPRD1HTR6SLC6A3
SCHEMBL22116698 0.85 SLC16A3 (0.87) SLC16A3OPRD1HTR6SLC6A3
SCHEMBL30187945 0.83 SLC16A3 (0.87) SLC16A3OPRD1HTR6SLC6A3
SCHEMBL22116729 0.83 SLC16A3 (0.87) SLC16A3OPRD1HTR6SLC6A3
SCHEMBL22116510 0.82 SLC16A3 (1.00) SLC16A3OPRD1HTR6SLC6A3
SCHEMBL30188174 0.82 SLC16A3 (1.00) SLC16A3OPRD1HTR6SLC6A3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12351570-B2 Disubstituted alkyne derivatives MERCK PATENT GMBH (DE) 2025-07-08 — — US disclosed
US-20230052586-A1 DISUBSTITUTED ALKYNE DERIVATIVES MERCK PATENT GMBH (DE) 2023-02-16 — — US disclosed
US-20230052586-A1 DISUBSTITUTED ALKYNE DERIVATIVES MERCK PATENT GMBH (DE) 2023-02-16 — — US disclosed
EP-3898588-B1 DISUBSTITUTED ALKYNE DERIVATIVES MERCK PATENT GMBH (DE) 2023-01-11 — — EP disclosed
EP-3898588-B1 DISUBSTITUTED ALKYNE DERIVATIVES MERCK PATENT GMBH (DE) 2023-01-11 — — EP disclosed
WO-2021249969-A1 COMBINATION PRODUCT FOR THE TREATMENT OF CANCER DISEASES MERCK PATENT GMBH (DE) 2021-12-16 — — WO disclosed
WO-2021249969-A1 COMBINATION PRODUCT FOR THE TREATMENT OF CANCER DISEASES MERCK PATENT GMBH (DE) 2021-12-16 — — WO disclosed
EP-3898588-A1 DISUBSTITUTED ALKYNE DERIVATIVES Merck Patent GmbH (DE) 2021-10-27 — — EP disclosed
WO-2020127960-A1 DISUBSTITUTED ALKYNE DERIVATIVES MERCK PATENT GMBH (DE) 2020-06-25 — — WO disclosed
WO-2020127960-A1 DISUBSTITUTED ALKYNE DERIVATIVES MERCK PATENT GMBH (DE) 2020-06-25 — — 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 (2 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-12351570-B2 Disubstituted alkyne derivatives BRCA1, MYC, PCNA SLC16A3 3198/4885OPRD1 4628/4885HTR6 3513/4885
US-20230052586-A1 DISUBSTITUTED ALKYNE DERIVATIVES BRCA1, MYC, PCNA SLC16A3 3198/4885OPRD1 4628/4885HTR6 3513/4885

“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.

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