SCHEMBL1110153

SCHEMBL1110153

CCCCC(C(=O)O)N(c1ccc2cc(C(=O)NCc3ccccc3)ccc2c1)S(=O)(=O)c1cc(Cl)cc(Cl)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.46
CA9 Q16790 1/20 0.46
POLB P06746 1/20 0.45
ALDH1A1 P00352 2/20 0.42
MAPT P10636 1/20 0.42
NR1H4 Q96RI1 1/20 0.41
CXCR3 P49682 2/20 0.41
PDE4A P27815 2/20 0.41
PDE4B Q07343 2/20 0.41
PDE4C Q08493 2/20 0.41
PDE4D Q08499 2/20 0.41
PADI6 Q6TGC4 1/20 0.41
PADI4 Q9UM07 1/20 0.41
PADI2 Q9Y2J8 1/20 0.41
HDAC3 O15379 2/20 0.40
HDAC1 Q13547 2/20 0.40
HDAC2 Q92769 2/20 0.40
MAPK1 P28482 1/20 0.40
GAA P10253 1/20 0.40
HSD17B10 Q99714 1/20 0.40

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
SCHEMBL1110122 0.91 CA12 (0.46) CA12CA9POLBALDH1A1NR1H4
SCHEMBL1110289 0.88 PSEN1 (0.38) POLBMAPTPDE4APDE4BPDE4C
SCHEMBL1110285 0.87 PTGDR (0.33) CA12CA9ALDH1A1MAPTTP53
SCHEMBL1319541 0.85 NAMPT (0.45) CA12CA9RORCNAMPT
SCHEMBL1110381 0.84 RORC (0.37) RORC
SCHEMBL1110347 0.83 MMP1 (0.36) CA12CA9ALDH1A1HDAC8
SCHEMBL1318480 0.82 HDAC2 (0.36) CA12CA9POLBALDH1A1MAPT
SCHEMBL1110232 0.81 CA12 (0.42) CA12CA9POLBALDH1A1MAPT
SCHEMBL1318726 0.80 NAMPT (0.41) MAPK1NAMPT
SCHEMBL1110298 0.80 MMP13 (0.36) CA12CA9ALDH1A1HDAC8

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-20110269761-A1 ARYLSULPHONYLGLYCINE DERIVATIVES, THE PREPARATION THEREOF AND THEIR USE AS MEDICAMENTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-11-03 US disclosed
EP-2279173-A1 NEW ARYLSULPHONYLGLYCINE DERIVATIVES, THE PREPARATION THEREOF AND THEIR USE AS MEDICAMENTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-02-02 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-20110269761-A1 ARYLSULPHONYLGLYCINE DERIVATIVES, THE PREPARATION THEREOF AND THEIR USE AS MEDICAMENTS SULT2A1, UGT1A1, SLC5A1 CA12 4672/4885CA9 3498/4885POLB 4579/4885

“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.