SCHEMBL6097571

SCHEMBL6097571

O=S(=O)(c1cc(Cl)c(Cl)cc1Cl)C1CCC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 8/20 0.46
CA1 P00915 8/20 0.46
CA2 P00918 8/20 0.46
CA6 P23280 8/20 0.46
CA5A P35218 8/20 0.46
CA7 P43166 8/20 0.46
CA9 Q16790 8/20 0.46
CA13 Q8N1Q1 8/20 0.46
CA14 Q9ULX7 8/20 0.46
CA5B Q9Y2D0 8/20 0.46
CA4 P22748 7/20 0.46
L3MBTL1 Q9Y468 1/20 0.44
COMT P21964 1/20 0.44
CNR1 P21554 1/20 0.44
CA3 P07451 7/20 0.43
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 0.36
TDP1 Q9NUW8 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
SCHEMBL2415595 0.73 COMT (0.43) CA12CA1CA2CA6CA5A
SCHEMBL22557425 0.69 CA1 (0.44) CA12CA1CA2CA6CA5A
SCHEMBL2413125 0.68 HSD11B1 (0.40) CA12CA1CA2CA6CA5A
SCHEMBL11859802 0.68 L3MBTL1 (0.47) CA12CA1CA2CA6CA5A
Water SCHEMBL28038773 0.67 COMT (0.35) CA12CA1CA2CA6CA5A
SCHEMBL16756765 0.66 L3MBTL1 (0.45) CA12CA1CA2CA6CA5A
SCHEMBL30161536 0.66 TRPV4 (0.47) CA12CA1CA2CA6CA5A
SCHEMBL534192 0.66 TRPV4 (0.47) CA12CA1CA2CA6CA5A
SCHEMBL19962939 0.66 MMP2 (0.45) CA12CA1CA2CA6CA5A
SCHEMBL28039072 0.65 ALDH1A1 (0.51) L3MBTL1COMTKMT2AALDH1A1

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-7101892-B2 Sulfone derivatives as 5-HT7 receptor ligands MERCK SHARP & DOHME LTD. 2006-09-05 US disclosed
US-20040229864-A1 Sulfone derivatives as 5-HT7 receptor ligands MERCK SHARP & DOHME LTD. (GB) 2004-11-18 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 (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-20040229864-A1 Sulfone derivatives as 5-HT7 receptor ligands HTR7, HTR2C, HTR1A CA12 4587/4885CA1 2680/4885CA2 2094/4885

“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.