SCHEMBL3298983

SCHEMBL3298983

OCCNc1ccc(I)nn1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IL1B P01584 2/20 0.45
TNF P01375 1/20 0.45
NLRP3 Q96P20 1/20 0.45
KDM4E B2RXH2 3/20 0.40
GAA P10253 3/20 0.40
ALDH1A1 P00352 2/20 0.40
POLB P06746 2/20 0.40
MAPK1 P28482 2/20 0.37
CYP2D6 P10635 1/20 0.36
CYP2C19 P33261 1/20 0.36
TDO2 P48775 1/20 0.35
MITF O75030 1/20 0.34
LMNA P02545 1/20 0.34
TTR P02766 1/20 0.34
GLA P06280 1/20 0.34
RAD52 P43351 1/20 0.34
RAB9A P51151 1/20 0.34
MKNK1 Q9BUB5 1/20 0.34
MAP4K4 O95819 2/20 0.33
TYK2 P29597 2/20 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
SCHEMBL5756006 0.87 IL1B (0.53) IL1BTNFNLRP3KDM4EGAA
Hydrochloric Acid SCHEMBL5756281 0.85 IL1B (0.51) IL1BTNFNLRP3KDM4EGAA
SCHEMBL3294770 0.80 SYK (0.35) ALDH1A1RECQL
SCHEMBL3025907 0.77 BRD4 (0.40) ALDH1A1POLBMAPK1LMNACLK4
SCHEMBL1852259 0.76 IL1B (0.53) IL1BTNFNLRP3KDM4EGAA
SCHEMBL20037454 0.76 IL1B (0.45) IL1BTNFNLRP3KDM4EGAA
SCHEMBL10533786 0.76 IL1B (0.45) IL1BTNFNLRP3KDM4EGAA
SCHEMBL3298966 0.76 HRH3 (0.45) RAB9AMEN1KMT2A
SCHEMBL20249219 0.72 IL1B (0.42) IL1BTNFNLRP3KDM4EGAA
SCHEMBL18291573 0.72 IL1B (0.42) IL1BTNFNLRP3KDM4EGAA

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2121600-B1 SUBSTITUTED ARYLSULPHONYLGLYCINES, THE PREPARATION THEREOF AND THE USE THEREOF AS PHARMACEUTICAL COMPOSITIONS BOEHRINGER INGELHEIM INT (DE) 2012-07-18 EP disclosed
EP-2121600-B1 SUBSTITUTED ARYLSULPHONYLGLYCINES, THE PREPARATION THEREOF AND THE USE THEREOF AS PHARMACEUTICAL COMPOSITIONS BOEHRINGER INGELHEIM INT (DE) 2012-07-18 EP disclosed
US-20100093703-A1 SUBSTITUTED ARYLSULPHONYLGLYCINES, THE PREPARATION THEREOF AND THE USE THEREOF AS PHARMACEUTICAL COMPOSITIONS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-04-15 US disclosed
US-20100093703-A1 SUBSTITUTED ARYLSULPHONYLGLYCINES, THE PREPARATION THEREOF AND THE USE THEREOF AS PHARMACEUTICAL COMPOSITIONS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-04-15 US disclosed
US-20100093703-A1 SUBSTITUTED ARYLSULPHONYLGLYCINES, THE PREPARATION THEREOF AND THE USE THEREOF AS PHARMACEUTICAL COMPOSITIONS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-04-15 US disclosed
EP-2121600-A2 SUBSTITUTED ARYLSULPHONYLGLYCINES, THE PREPARATION THEREOF AND THE USE THEREOF AS PHARMACEUTICAL COMPOSITIONS Boehringer Ingelheim International GmbH (DE) 2009-11-25 EP disclosed
WO-2008099000-A2 SUBSTITUTED ARYLSULPHONYLGLYCINES, THE PREPARATION THEREOF AND THE USE THEREOF AS PHARMACEUTICAL COMPOSITIONS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-08-21 WO disclosed
WO-2008099000-A2 SUBSTITUTED ARYLSULPHONYLGLYCINES, THE PREPARATION THEREOF AND THE USE THEREOF AS PHARMACEUTICAL COMPOSITIONS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-08-21 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-20100093703-A1 SUBSTITUTED ARYLSULPHONYLGLYCINES, THE PREPARATION THEREOF AND THE USE THEREOF AS PHARMACEUTICAL COMPOSITIONS PYGL, PYGM, G6PC1 IL1B 4595/4885TNF 4736/4885NLRP3 4111/4885

“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.