SCHEMBL1110486

SCHEMBL1110486

CCCCC(C(=O)O)N(c1ccc2ccc(-c3noc(C)n3)cc2c1)S(=O)(=O)c1cc(Cl)cc(Cl)c1

nearest known ligand 0.35

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MMP12 P39900 5/20 0.35
BDKRB1 P46663 4/20 0.35
MMP2 P08253 4/20 0.34
MMP9 P14780 4/20 0.34
MMP13 P45452 3/20 0.34
MMP8 P22894 2/20 0.34
CA12 O43570 1/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
CA9 Q16790 1/20 0.34
FBP1 P09467 1/20 0.34
MAPT P10636 1/20 0.33
TSHR P16473 1/20 0.33
MAPK1 P28482 1/20 0.33
LMNA P02545 2/20 0.32
ALDH1A1 P00352 1/20 0.32
POLB P06746 1/20 0.32
KMT2A Q03164 1/20 0.32

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
SCHEMBL1321251 0.97 MMP12 (0.36) MMP12BDKRB1MMP2MMP9MMP13
SCHEMBL1110323 0.89 MMP12 (0.38) MMP12MMP2MMP9MMP13MMP8
SCHEMBL1110250 0.88 MMP12 (0.38) MMP12MMP2MMP9MMP13MMP8
SCHEMBL1110145 0.86 KDM4E (0.41) MMP12MMP2MMP9MMP13MMP8
SCHEMBL1110361 0.85 MMP12 (0.32) MMP12BDKRB1MMP2MMP9MMP13
SCHEMBL1110202 0.85 MMP12 (0.37) MMP12BDKRB1MMP2MMP9MMP13
SCHEMBL1110337 0.84 FFAR1 (0.40)
SCHEMBL1110146 0.84 MMP2 (0.36) MMP12MMP2MMP9MMP13MMP8
SCHEMBL1110198 0.84 CYP3A4 (0.36) MMP2MMP9
SCHEMBL1110210 0.83 MAPK14 (0.38) MAPTTSHRLMNAALDH1A1POLB

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 3200/4885BDKRB1 1130/4885MMP2 3127/4885

“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.