SCHEMBL688459

SCHEMBL688459

CC(C)Cc1ccc(CS(N)(=O)=O)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.54
CA2 P00918 2/20 0.54
CA9 Q16790 2/20 0.54
CA5A P35218 1/20 0.54
ALDH1A1 P00352 2/20 0.49
EPHX1 P07099 1/20 0.47
KIF11 P52732 1/20 0.46
CXCR1 P25024 4/20 0.44
CXCR2 P25025 4/20 0.44
PTGS1 P23219 3/20 0.44
PTGS2 P35354 3/20 0.44
LMNA P02545 2/20 0.44
CYP2C9 P11712 2/20 0.44
AKR1C3 P42330 2/20 0.44
ALOX5 P09917 2/20 0.44
ALB P02768 1/20 0.44
ESR1 P03372 1/20 0.44
RARB P10826 1/20 0.44
ADRB3 P13945 1/20 0.44
NFKB1 P19838 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
SCHEMBL6457789 0.80 RECQL (0.58) CA1CA2CA9ALDH1A1EPHX1
SCHEMBL3092073 0.79 CA2 (0.61) CA1CA2CA9CA5AALDH1A1
SCHEMBL4739419 0.79 CA1 (0.54) CA1CA2CA9CA5AALDH1A1
SCHEMBL3428973 0.79 EPHX1 (0.51) CA1CA2CA9ALDH1A1EPHX1
SCHEMBL9493063 0.78 CA2 (0.60) CA1CA2CA9CA5AALDH1A1
SCHEMBL1131597 0.76 PTGS1 (0.56) ALDH1A1EPHX1CXCR1CXCR2PTGS1
SCHEMBL686723 0.76 EPHX1 (0.53) CA1CA2CA9ALDH1A1EPHX1
SCHEMBL20692306 0.76 ALDH1A1 (0.54) CA1CA2CA9ALDH1A1EPHX1
SCHEMBL13310042 0.76 EPHX1 (0.53) CA1CA2CA9ALDH1A1EPHX1
SCHEMBL13310041 0.76 EPHX1 (0.53) CA1CA2CA9ALDH1A1EPHX1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3087091-A1 VAR2CSA-DRUG CONJUGATES Zymeworks Inc. (CA) 2016-11-02 EP disclosed
WO-2015095952-A1 VAR2CSA-DRUG CONJUGATES THE CENTRE FOR DRUG RESEARCH AND DEVELOPMENT (CA) 2015-07-02 WO 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
CN-100372831-C Sulfonic acids, derivatives thereof and pharmaceutical compositions containing them DOMPE SPA (IT) 2008-03-05 CN disclosed
US-20060258730-A1 Sulfonic acids, their derivatives and pharmaceutical compositions containing them DOMPE S.P.A. (IT) 2006-11-16 US disclosed
CN-1761645-A Sulfonic acids, their derivatives and pharmaceutical compositions containing them DOMPE SPA (IT) 2006-04-19 CN 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 CA1 156/4885CA2 565/4885CA9 587/4885

“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.