SCHEMBL30187874

SCHEMBL30187874

COc1ccc(S(=O)(=O)Nc2ccccc2C#Cc2cnc(C(=O)O)cc2Cl)c2ncccc12

nearest known ligand 0.77

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SLC16A3 O15427 19/20 0.77
SLC16A7 O60669 1/20 0.68
SLC16A8 O95907 1/20 0.68
HTR5A P47898 1/20 0.68
OPRD1 P41143 1/20 0.65
HTR6 P50406 1/20 0.65
SLC6A3 Q01959 1/20 0.65
FABP4 P15090 1/20 0.47

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
SCHEMBL22116614 1.00 SLC16A3 (0.77) SLC16A3SLC16A7SLC16A8HTR5AOPRD1
SCHEMBL30188106 0.93 SLC16A3 (0.69) SLC16A3SLC16A7SLC16A8HTR5AOPRD1
SCHEMBL22116661 0.93 SLC16A3 (0.69) SLC16A3SLC16A7SLC16A8HTR5AOPRD1
SCHEMBL22116629 0.93 SLC16A3 (0.89) SLC16A3SLC16A7SLC16A8HTR5AOPRD1
SCHEMBL30188269 0.93 SLC16A3 (0.89) SLC16A3SLC16A7SLC16A8HTR5AOPRD1
SCHEMBL22116736 0.91 SLC16A3 (0.80) SLC16A3SLC16A7SLC16A8HTR5AOPRD1
SCHEMBL30188031 0.91 SLC16A3 (0.80) SLC16A3SLC16A7SLC16A8HTR5AOPRD1
SCHEMBL25037599 0.89 SLC16A3 (0.76) SLC16A3SLC16A7SLC16A8HTR5AOPRD1
SCHEMBL22116779 0.89 SLC16A3 (0.94) SLC16A3SLC16A7SLC16A8HTR5AOPRD1
SCHEMBL30188311 0.89 SLC16A3 (0.94) SLC16A3SLC16A7SLC16A8HTR5AOPRD1

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 2 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

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 3198/4885SLC16A7 3694/4885SLC16A8 3364/4885
US-20230052586-A1 DISUBSTITUTED ALKYNE DERIVATIVES BRCA1, MYC, PCNA SLC16A3 3198/4885SLC16A7 3694/4885SLC16A8 3364/4885

“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.