SCHEMBL1110399

SCHEMBL1110399

CCCCC(C(=O)O)N(c1ccc2c(-c3noc(-c4ccccc4)n3)cccc2c1)S(=O)(=O)c1cc(Cl)cc(Cl)c1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP12 P39900 8/20 0.37
MMP2 P08253 7/20 0.37
MMP9 P14780 7/20 0.37
MMP13 P45452 6/20 0.37
MMP8 P22894 5/20 0.37
ACLY P53396 1/20 0.36
NR1H4 Q96RI1 2/20 0.35
S1PR1 P21453 4/20 0.35
S1PR3 Q99500 1/20 0.35
RAB9A P51151 1/20 0.35
KMT2A Q03164 1/20 0.35
CA12 O43570 2/20 0.34
CA1 P00915 2/20 0.34
CA2 P00918 2/20 0.34
CA9 Q16790 2/20 0.34
S1PR4 O95977 1/20 0.33
S1PR5 Q9H228 1/20 0.33
ALOX5 P09917 1/20 0.33
ADORA2A P29274 1/20 0.33
ADORA1 P30542 1/20 0.33

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
SCHEMBL1110296 0.91 ACLY (0.30) MMP12MMP2MMP9MMP13MMP8
SCHEMBL1110361 0.91 MMP12 (0.32) MMP12MMP2MMP9MMP13MMP8
SCHEMBL1110321 0.89 TSHR (0.33) KMT2AALOX5
SCHEMBL1110234 0.89 MMP12 (0.33) MMP12MMP2MMP9MMP13MMP8
SCHEMBL1110521 0.89 KMT2A (0.34) S1PR1RAB9AKMT2A
SCHEMBL1110507 0.89 ITGA4 (0.30)
SCHEMBL1110250 0.88 MMP12 (0.38) MMP12MMP2MMP9MMP13MMP8
SCHEMBL1110203 0.88 ACLY (0.32) MMP12MMP2MMP9MMP13MMP8
SCHEMBL1110145 0.87 KDM4E (0.41) MMP12MMP2MMP9MMP13MMP8
SCHEMBL1110157 0.86 MAPK1 (0.37) ACLYRAB9A

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 MMP12 3200/4885MMP2 3127/4885MMP9 3948/4885

“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.