SCHEMBL1110198

SCHEMBL1110198

CCCCC(C(=O)O)N(c1ccc2cc(-c3ncccn3)ccc2c1)S(=O)(=O)c1cc(Cl)cc(Cl)c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.36
ALOX5 P09917 4/20 0.35
PTGES O14684 3/20 0.34
PSEN1 P49768 2/20 0.33
PSEN2 P49810 2/20 0.33
APH1B Q8WW43 2/20 0.33
NCSTN Q92542 2/20 0.33
APH1A Q96BI3 2/20 0.33
PSENEN Q9NZ42 2/20 0.33
FFAR4 Q5NUL3 1/20 0.33
ADAMTS5 Q9UNA0 1/20 0.33
ACLY P53396 1/20 0.33
ITGA4 P13612 1/20 0.33
PPARG P37231 3/20 0.33
PPARA Q07869 3/20 0.33
NR1I2 O75469 1/20 0.32
S1PR1 P21453 1/20 0.32
MMP2 P08253 1/20 0.32
MMP9 P14780 1/20 0.32
PPARD Q03181 2/20 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
SCHEMBL1110306 0.91 CYP1A2 (0.35) ALOX5PTGESADAMTS5ACLYITGA4
SCHEMBL1110265 0.89 PSEN1 (0.36) CYP3A4ALOX5PTGESPSEN1PSEN2
SCHEMBL1110913 0.87 CYP11B1 (0.40) CYP3A4
SCHEMBL1110323 0.87 MMP12 (0.38) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL1110250 0.87 MMP12 (0.38) ALOX5ACLYS1PR1MMP2MMP9
SCHEMBL1110426 0.86 PPARD (0.34) ALOX5PPARAPPARD
SCHEMBL1111051 0.86 EDNRB (0.36) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL1321251 0.86 MMP12 (0.36) MMP2MMP9
SCHEMBL1110256 0.85 DNM2 (0.36) CYP3A4
SCHEMBL1110145 0.85 KDM4E (0.41) S1PR1MMP2MMP9L3MBTL1

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 CYP3A4 372/4885ALOX5 2636/4885PTGES 630/4885

“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.