SCHEMBL6095780

SCHEMBL6095780

Cc1cccc(S(=O)(=O)C(C)C(C)CCO)c1

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.44
PSEN1 P49768 1/20 0.40
PSEN2 P49810 1/20 0.40
APH1B Q8WW43 1/20 0.40
NCSTN Q92542 1/20 0.40
APH1A Q96BI3 1/20 0.40
PSENEN Q9NZ42 1/20 0.40
FBP1 P09467 13/20 0.40
NLRP3 Q96P20 1/20 0.39
HCRTR2 O43614 1/20 0.38
ALDH1A1 P00352 1/20 0.38

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
SCHEMBL6097607 0.82 TSHR (0.41) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL6094391 0.82 TSHR (0.41) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL6094393 0.82 TSHR (0.41) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL6098151 0.75 KMT2A (0.52) KMT2AFBP1NLRP3ALDH1A1
SCHEMBL751112 0.73 KMT2A (0.50) KMT2AFBP1NLRP3ALDH1A1
SCHEMBL27596168 0.72 KMT2A (0.46) KMT2AFBP1NLRP3ALDH1A1
SCHEMBL10765775 0.72 KMT2A (0.49) KMT2AFBP1NLRP3ALDH1A1
SCHEMBL10767304 0.72 KMT2A (0.43) KMT2APSEN1PSEN2APH1BNCSTN
SCHEMBL8257058 0.70 KMT2A (0.51) KMT2AFBP1HCRTR2ALDH1A1
SCHEMBL10764574 0.70 KMT2A (0.44) KMT2APSEN1PSEN2APH1BNCSTN

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 KMT2A 2168/4885PSEN1 1955/4885PSEN2 1438/4885

“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.