SCHEMBL1110100

SCHEMBL1110100

CC(C)(C)OC(=O)CN(c1ccc2c(C(=O)NCc3ccc(C(=O)N4CCN(C(=O)OC(C)(C)C)CC4)cc3)cccc2c1)S(=O)(=O)c1cc(Cl)cc(Cl)c1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.44
HTT P42858 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
CYP2C19 P33261 1/20 0.40
HSD11B1 P28845 4/20 0.39
LMNA P02545 1/20 0.39
MAPT P10636 1/20 0.39
BACE1 P56817 1/20 0.38
RORC P51449 2/20 0.36
TP53 P04637 2/20 0.36
STS P08842 2/20 0.36
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA9 Q16790 1/20 0.36
NAMPT P43490 2/20 0.35
KCNH2 Q12809 1/20 0.35

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
SCHEMBL12119660 0.93 HSD11B1 (0.45) SMN1; SMN2HTTNPSR1MEN1KMT2A
SCHEMBL1110154 0.90 BACE1 (0.39) SMN1; SMN2HTTNPSR1LMNABACE1
SCHEMBL1110191 0.90 SMN1; SMN2 (0.46) SMN1; SMN2HTTNPSR1MEN1KMT2A
SCHEMBL12119239 0.87 EPHX2 (0.38) SMN1; SMN2KMT2AHSD11B1RORC
SCHEMBL12119699 0.84 RORC (0.42) SMN1; SMN2HTTMEN1KMT2ACYP2C19
SCHEMBL1319352 0.84 SMN1; SMN2 (0.47) SMN1; SMN2HTTNPSR1MEN1KMT2A
SCHEMBL12119299 0.84 KMT2A (0.38) KMT2ARORC
SCHEMBL1110482 0.84 SMN1; SMN2 (0.40) SMN1; SMN2HTTNPSR1MEN1KMT2A
SCHEMBL1110471 0.83 HSD11B1 (0.40) SMN1; SMN2HTTKMT2AHSD11B1LMNA
SCHEMBL1110424 0.83 HSD11B1 (0.49) SMN1; SMN2HTTMEN1KMT2AHSD11B1

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 5 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
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
WO-2009127723-A1 NEW ARYLSULPHONYLGLYCINE DERIVATIVES, THE PREPARATION THEREOF AND THEIR USE AS MEDICAMENTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-10-22 WO disclosed
WO-2009127723-A1 NEW ARYLSULPHONYLGLYCINE DERIVATIVES, THE PREPARATION THEREOF AND THEIR USE AS MEDICAMENTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-10-22 WO 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 SMN1; SMN2 2627/4885HTT 2848/4885NPSR1 939/4885

“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.