SCHEMBL22134801

SCHEMBL22134801

COC(=O)c1ccc(C#Cc2ccccc2N=S(C)(=O)c2ccccc2F)cn1

nearest known ligand 0.46

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ SLC16A3 O15427 10/20 0.39
▸ GRM5 P41594 1/20 0.36
▸ MAPK1 P28482 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
SCHEMBL24862650 0.89 SLC16A3 (0.43) SLC16A3MAPK1
SCHEMBL24109641 0.89 SLC16A3 (0.47) SLC16A3GRM5
SCHEMBL24110555 0.89 SLC16A3 (0.44) SLC16A3MAPK1
SCHEMBL25035676 0.86 SLC16A3 (0.43) SLC16A3GRM5MAPK1
SCHEMBL22134722 0.85 GRM5 (0.41) GRM5
SCHEMBL25037550 0.84 SLC16A3 (0.56) SLC16A3
SCHEMBL24109655 0.83 SLC16A3 (0.43) SLC16A3MAPK1
SCHEMBL22134792 0.82 SLC16A3 (0.42) SLC16A3MAPK1
SCHEMBL24110472 0.81 SLC16A3 (0.46) SLC16A3
SCHEMBL22134669 0.81 SLC16A3 (0.38) SLC16A3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
WO-2021249969-A1 COMBINATION PRODUCT FOR THE TREATMENT OF CANCER DISEASES MERCK PATENT GMBH (DE) 2021-12-16 — — 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 (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-20230052586-A1 DISUBSTITUTED ALKYNE DERIVATIVES BRCA1, MYC, PCNA SLC16A3 3198/4885GRM5 4309/4885MAPK1 1307/4885

“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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