SCHEMBL3032827

SCHEMBL3032827

NC(=O)c1ccc(C2CN(C(=O)O)c3ccc(NS(=O)(=O)c4cc(Cl)cc(Cl)c4)cc32)cc1

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CPT1A P50416 2/20 0.38
CPT1B Q92523 2/20 0.38
CPT2 P23786 1/20 0.38
PGR P06401 2/20 0.37
HSD11B1 P28845 2/20 0.37
HTR6 P50406 1/20 0.37
CYP3A4 P08684 2/20 0.36
WDR5 P61964 1/20 0.35
ACLY P53396 1/20 0.35
PSEN1 P49768 3/20 0.35
PSEN2 P49810 3/20 0.35
APH1B Q8WW43 3/20 0.35
NCSTN Q92542 3/20 0.35
APH1A Q96BI3 3/20 0.35
PSENEN Q9NZ42 3/20 0.35
CYP2D6 P10635 1/20 0.35
ALDH1A1 P00352 1/20 0.35
POLB P06746 1/20 0.35
TP53 P04637 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
SCHEMBL2844662 0.82 PGR (0.40) CPT1ACPT1BCPT2PGRHSD11B1
SCHEMBL2848723 0.80 ACLY (0.41) CPT1ACPT1BCPT2ACLYPOLB
SCHEMBL2852650 0.72 HTR6 (0.39) PGRHSD11B1HTR6ACLYPSEN1
SCHEMBL3036885 0.70 TSHR (0.47) CYP3A4ALDH1A1POLB
SCHEMBL2848835 0.70 POLB (0.40) POLBTP53
SCHEMBL1110252 0.70 CHEK2 (0.49) CPT1ACPT1BCPT2PGRCYP3A4
SCHEMBL4434723 0.70 HTR6 (0.46) PGRHTR6CYP3A4ACLYPSEN1
SCHEMBL1110453 0.69 CHEK2 (0.48) CPT1ACPT1BCPT2PGRCYP3A4
SCHEMBL2844117 0.68 CYP3A4 (0.42) CPT1ACPT1BCPT2PGRCYP3A4
SCHEMBL2851271 0.67 HTR6 (0.44) PGRHTR6CYP3A4PSEN1PSEN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8211923-B2 Substituted arylsulfonylaminomethylphosphonic acid derivatives, their preparation and their use in the treatment of type I and II diabetes mellitus BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-07-03 US disclosed
US-20100210595-A1 SUBSTITUTED ARYLSULFONYLAMINOMETHYLPHOSPHONIC ACID DERIVATIVES, THEIR PREPARATION AND THEIR USE IN THE TREATMENT OF TYPE I AND II DIABETES MELLITUS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-08-19 US disclosed
EP-2185572-A1 SUBSTITUTED ARYLSULFONYLAMINOMETHYLPHOSPHONIC ACID DERIVATIVES, THEIR PREPARATION AND THEIR USE IN THE TREATMENT OF TYPE I AND II DIABETES MELLITUS Boehringer Ingelheim International GmbH (DE) 2010-05-19 EP disclosed
WO-2009016119-A1 SUBSTITUTED ARYLSULFONYLAMINOMETHYLPHOSPHONIC ACID DERIVATIVES, THEIR PREPARATION AND THEIR USE IN THE TREATMENT OF TYPE I AND II DIABETES MELLITUS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-02-05 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-20100210595-A1 SUBSTITUTED ARYLSULFONYLAMINOMETHYLPHOSPHONIC ACID DERIVATIVES, THEIR PREPARATION AND THEIR USE IN THE TREATMENT OF TYPE I AND II DIABETES MELLITUS G6PC1, PYGL, PPP1CA CPT1A 470/4885CPT1B 454/4885CPT2 1919/4885

“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.