SCHEMBL2840443

SCHEMBL2840443

CC(C)(C)OC(=O)CN(c1ccc2c(C(=O)NC(=O)OC(C)(C)CCc3ccccc3)cn(C(=O)OC(C)(C)C)c2c1)S(=O)(=O)c1cc(Cl)cc(Cl)c1

nearest known ligand 0.35

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CACNA1H O95180 3/20 0.35
RAB9A P51151 2/20 0.32
ALDH1A1 P00352 1/20 0.32
TSHR P16473 1/20 0.32
KEAP1 Q14145 2/20 0.31
NFE2L2 Q16236 2/20 0.31
ACHE P22303 1/20 0.31
HTT P42858 1/20 0.30
MCL1 Q07820 1/20 0.30
OXTR P30559 1/20 0.30
AVPR1A P37288 1/20 0.30
CREBBP Q92793 1/20 0.30
ITGB1 P05556 1/20 0.30
ITGA4 P13612 1/20 0.30

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
SCHEMBL2841270 0.84 STS (0.33) RAB9ATSHRCREBBP
SCHEMBL2844579 0.83 NR1H2 (0.37) ACHE
SCHEMBL2848213 0.82 RORC (0.37) RAB9AALDH1A1TSHRHTTOXTR
SCHEMBL2840447 0.82 STAT5B (0.37) CACNA1HTSHRKEAP1NFE2L2MCL1
SCHEMBL2840538 0.81 HTR6 (0.34) TSHR
SCHEMBL2848214 0.81 TSHR (0.34) CACNA1HALDH1A1TSHRHTTOXTR
SCHEMBL2845798 0.79 HTR6 (0.33)
SCHEMBL2841274 0.79 HTR6 (0.33)
SCHEMBL11948443 0.78 POLB (0.46) ALDH1A1ACHE
SCHEMBL2845622 0.78 STS (0.40) ALDH1A1TSHRHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8232312-B2 Substituted arylsulphonylglycines, the preparation thereof and the use thereof as pharmaceutical compositions BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-07-31 US disclosed
EP-2125718-B1 NEW SUBSTITUTED ARYLSULPHONYLGLYCINES, THE PREPARATION THEREOF AND THE USE THEREOF AS PHARMACEUTICAL COMPOSITIONS BOEHRINGER INGELHEIM INT (DE) 2010-09-15 EP disclosed
US-20100130557-A1 SUBSTITUTED ARYLSULPHONYLGLYCINES, THE PREPARATION THEREOF AND THE USE THEREOF AS PHARMACEUTICAL COMPOSITIONS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-05-27 US disclosed
EP-2125718-A2 NEW SUBSTITUTED ARYLSULPHONYLGLYCINES, THE PREPARATION THEREOF AND THE USE THEREOF AS PHARMACEUTICAL COMPOSITIONS Boehringer Ingelheim International GmbH (DE) 2009-12-02 EP disclosed
WO-2008113760-A2 ARYLSULPHONYGLYCINE DERIVATIVES AS SUPPRESSORS OF THE INTERACTION OF GLYCOGEN PHOSPHORYLASE A WITH THE GL SUBUNIT OF GLYCOGEN-ASSOCIATED PROTEIN PHOSPHATASE 1 (PPL) FOR THE TREATMENT OF METABOLIC DISORDERS, PARTICULARY DIABETES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-09-25 WO 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-20100130557-A1 SUBSTITUTED ARYLSULPHONYLGLYCINES, THE PREPARATION THEREOF AND THE USE THEREOF AS PHARMACEUTICAL COMPOSITIONS PYGL, PYGM, G6PC1 CACNA1H 3490/4885RAB9A 1862/4885ALDH1A1 1212/4885

“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.