SCHEMBL1110313

SCHEMBL1110313

CCCCC(C(=O)O)N(c1ccc2c(-c3nc(CS(=O)(=O)c4ccccc4)no3)cccc2c1)S(=O)(=O)c1cc(Cl)cc(Cl)c1

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.39
NPC1 O15118 3/20 0.38
RAB9A P51151 3/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
KDM4E B2RXH2 1/20 0.36
MAPT P10636 2/20 0.32
GAA P10253 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
PPARA Q07869 1/20 0.32
ACLY P53396 1/20 0.31
CYP2D6 P10635 2/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31
NR1I2 O75469 1/20 0.30
GPBAR1 Q8TDU6 1/20 0.30
TDP1 Q9NUW8 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
SCHEMBL1110157 0.91 MAPK1 (0.37) NPC1RAB9ASMN1; SMN2L3MBTL1PPARA
SCHEMBL1110513 0.89 PPARG (0.39) NPC1RAB9AMAPTL3MBTL1PPARA
SCHEMBL1110207 0.88 ALDH1A1 (0.45) ALDH1A1NPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL1110203 0.88 ACLY (0.32) PPARAACLY
SCHEMBL1110399 0.85 MMP12 (0.37) RAB9AACLY
SCHEMBL1110214 0.84 MMP2 (0.32) L3MBTL1PPARA
SCHEMBL1110296 0.83 ACLY (0.30) ACLY
SCHEMBL1110392 0.83 ALDH1A1 (0.41) ALDH1A1NPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL1110361 0.82 MMP12 (0.32) PPARAACLY
SCHEMBL1110321 0.81 TSHR (0.33) ALDH1A1

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 ALDH1A1 49/4885NPC1 1879/4885RAB9A 2091/4885

“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.