SCHEMBL21536600

SCHEMBL21536600

COc1ccc(S(C)(C)S)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 3/20 0.56
CA1 P00915 3/20 0.55
CA2 P00918 3/20 0.55
CA7 P43166 2/20 0.55
CA9 Q16790 2/20 0.55
CA12 O43570 1/20 0.55
CA14 Q9ULX7 1/20 0.55
MMP13 P45452 5/20 0.47
MMP1 P03956 3/20 0.47
MMP8 P22894 2/20 0.47
GAA P10253 2/20 0.47
MMP2 P08253 1/20 0.47
MMP9 P14780 1/20 0.47
ACHE P22303 1/20 0.46
NPC1 O15118 1/20 0.45
PKLR P30613 1/20 0.45
RAB9A P51151 1/20 0.45
IDO1 P14902 1/20 0.44
MAPK1 P28482 2/20 0.44
LMNA P02545 1/20 0.44

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
SCHEMBL19864931 0.81 CA1 (0.65) PKMCA1CA2CA7CA9
SCHEMBL23208319 0.79 CA1 (0.61) PKMCA1CA2CA7CA9
SCHEMBL18402798 0.79 CA1 (0.61) PKMCA1CA2CA7CA9
SCHEMBL13851197 0.78 PKM (0.67) PKMCA1CA2CA7CA9
SCHEMBL9353513 0.76 PKM (0.64) PKMCA1CA2CA7CA9
SCHEMBL280156 0.75 PKM (0.70) PKMCA1CA2CA7CA9
SCHEMBL11986371 0.75 PKM (0.70) PKMCA1CA2CA7CA9
1,4-Dimethoxybenzene SCHEMBL21802643 0.74 CA1 (1.00) PKMCA1CA2CA7CA9
1,4-Dimethoxybenzene SCHEMBL8489 0.74 CA1 (1.00) PKMCA1CA2CA7CA9
SCHEMBL21536597 0.73 ACHE (0.48) CA1CA2CA7CA9CA12

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-11168059-B2 Amino sulfonyl compounds CV6 THERAPEUTICS (NI) LIMITED (GB) 2021-11-09 US disclosed
US-20190330158-A1 AMINO SULFONYL COMPOUNDS CV6 THERAPEUTICS (NI) LIMITED (GB) 2019-10-31 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-11168059-B2 Amino sulfonyl compounds DPYD, DNPEP, DUT PKM 2428/4885CA1 2741/4885CA2 2445/4885
US-20190330158-A1 AMINO SULFONYL COMPOUNDS DPYD, DNPEP, DUT PKM 2428/4885CA1 2741/4885CA2 2445/4885

“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.