SCHEMBL30188009

SCHEMBL30188009

Cc1c(S(=O)(=O)Nc2ccccc2C#Cc2ccc(C(=O)O)cc2)sc2ccc(Cl)cc12

nearest known ligand 0.61

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PFKFB4 Q16877 4/20 0.61
PFKFB3 Q16875 4/20 0.61
SLC16A3 O15427 8/20 0.56
CMA1 P23946 5/20 0.54
NPSR1 Q6W5P4 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
KEAP1 Q14145 1/20 0.49

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
SCHEMBL22134797 1.00 PFKFB4 (0.61) PFKFB4PFKFB3SLC16A3CMA1NPSR1
SCHEMBL22116481 0.86 SLC16A3 (0.59) PFKFB4PFKFB3SLC16A3CMA1
SCHEMBL22116587 0.80 SLC16A3 (0.59) SLC16A3
SCHEMBL30187910 0.80 SLC16A3 (0.59) SLC16A3
SCHEMBL5621758 0.80 PFKFB3 (0.80) PFKFB4PFKFB3CMA1NPSR1L3MBTL1
SCHEMBL3552003 0.80 PFKFB4 (0.61) PFKFB4PFKFB3SLC16A3CMA1NPSR1
SCHEMBL22116483 0.79 SLC16A3 (0.51) PFKFB4PFKFB3SLC16A3CMA1
SCHEMBL5621524 0.79 PFKFB3 (0.70) PFKFB4PFKFB3CMA1NPSR1L3MBTL1
SCHEMBL2912893 0.77 CMA1 (0.82) PFKFB4PFKFB3CMA1NPSR1L3MBTL1
SCHEMBL788108 0.76 PFKFB4 (1.00) PFKFB4PFKFB3CMA1NPSR1L3MBTL1

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 3 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 claimed
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

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 PFKFB4 3772/4885PFKFB3 3714/4885SLC16A3 3198/4885
US-20230052586-A1 DISUBSTITUTED ALKYNE DERIVATIVES BRCA1, MYC, PCNA PFKFB4 3772/4885PFKFB3 3714/4885SLC16A3 3198/4885

“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.