SCHEMBL692729

SCHEMBL692729

CCCCCC(C)S(=O)(=O)Cl

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.54
OPRM1 P35372 1/20 0.48
CA1 P00915 2/20 0.40
SPHK1 Q9NYA1 1/20 0.40
LAP3 P28838 2/20 0.39
ADH1B P00325 1/20 0.38
ADH1C P00326 1/20 0.38
ADH1A P07327 1/20 0.38
ADH4 P08319 1/20 0.38
ADH7 P40394 1/20 0.38
FDPS P14324 4/20 0.37
ACE2 Q9BYF1 1/20 0.36
CA2 P00918 1/20 0.36
GPR84 Q9NQS5 3/20 0.35
FFAR1 O14842 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
SCHEMBL27420807 0.98 TP53 (0.52) TP53OPRM1CA1SPHK1LAP3
SCHEMBL14642186 0.98 TP53 (0.52) TP53OPRM1CA1SPHK1LAP3
SCHEMBL6113068 0.93 TP53 (0.45) TP53OPRM1CA1SPHK1FDPS
SCHEMBL457712 0.82
SCHEMBL14967061 0.80 TP53 (0.58) TP53OPRM1CA1SPHK1LAP3
SCHEMBL9662687 0.78 TP53 (0.56) TP53OPRM1CA1SPHK1LAP3
SCHEMBL8814042 0.78 TP53 (0.56) TP53OPRM1CA1SPHK1LAP3
SCHEMBL2489859 0.76 TP53 (0.59) TP53OPRM1CA1SPHK1LAP3
SCHEMBL7864585 0.76 TP53 (0.43) TP53FDPSCA2GPR84FFAR1
SCHEMBL3664636 0.76 TP53 (0.43) TP53CA1FDPSCA2GPR84

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112830893-A ROR gamma inhibitor, preparation method and medical application thereof 成都倍特药业股份有限公司 2021-05-25 CN disclosed
CN-106543189-A A kind of dipeptidyl peptidase-iv inhibitor 成都硕鼎科技有限公司 2017-03-29 CN disclosed
EP-1606248-B1 SULFONIC ACIDS, THEIR DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM DOMPE SPA (IT) 2012-02-29 EP disclosed
US-7737139-B2 Sulfonic acids, their derivatives and pharmaceutical compositions containing them DOMPE PHA.R.MA S.P.A. (IT) 2010-06-15 US disclosed
US-20060258730-A1 Sulfonic acids, their derivatives and pharmaceutical compositions containing them DOMPE S.P.A. (IT) 2006-11-16 US disclosed
EP-1606248-A2 SULFONIC ACIDS, THEIR DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM Dompé S.P.A. (IT) 2005-12-21 EP disclosed
WO-2004080951-A2 SULFONIC ACIDS, THEIR DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM DOMPE S.P.A. (IT) 2004-09-23 WO disclosed
EP-1457485-A1 Sulfonic acids, their derivatives and pharmaceutical compositions containing them Dompé S.P.A. (IT) 2004-09-15 EP 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-20060258730-A1 Sulfonic acids, their derivatives and pharmaceutical compositions containing them CCR8, CCR1, CXCR1 TP53 2254/4885OPRM1 1356/4885CA1 156/4885

“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.