SCHEMBL3045502

SCHEMBL3045502

CCCS(=O)(=O)NC[C@H](C)c1ccc(-c2ccc(CCNS(C)(=O)=O)cc2)cc1

nearest known ligand 0.72

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GRIA4 P48058 17/20 0.72
GRIA1 P42261 1/20 0.41
GRIA2 P42262 1/20 0.41
GRIA3 P42263 1/20 0.41
MEN1 O00255 1/20 0.37
ALDH1A1 P00352 1/20 0.37
LMNA P02545 1/20 0.37
HTT P42858 1/20 0.37
KMT2A Q03164 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
POLB P06746 1/20 0.37

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
SCHEMBL6660039 1.00 GRIA4 (0.72) GRIA4GRIA1GRIA2GRIA3MEN1
SCHEMBL3074752 1.00 GRIA4 (0.72) GRIA4GRIA1GRIA2GRIA3MEN1
SCHEMBL6563307 0.96 GRIA4 (0.65) GRIA4MEN1ALDH1A1LMNAHTT
SCHEMBL6563308 0.90 GRIA4 (0.56) GRIA4MEN1ALDH1A1LMNAHTT
SCHEMBL6565219 0.89 GRIA4 (0.56) GRIA4MEN1ALDH1A1LMNAHTT
SCHEMBL5878035 0.87 GRIA4 (0.74) GRIA4GRIA1GRIA2GRIA3
SCHEMBL5992695 0.85 GRIA4 (0.71) GRIA4GRIA1GRIA2GRIA3
Mibampator SCHEMBL3045499 0.84 GRIA4 (1.00) GRIA4GRIA1GRIA2GRIA3POLB
Mibampator SCHEMBL6660037 0.84 GRIA4 (1.00) GRIA4GRIA1GRIA2GRIA3POLB
Mibampator SCHEMBL3074747 0.84 GRIA4 (1.00) GRIA4GRIA1GRIA2GRIA3POLB

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 49 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2005013961-A1 COMBINATION THERAPY FOR TREATMENT OF COGNITIVE DISORDERS OR PSYCHOSES ELI LILLY AND COMPANY (US) 2005-02-17 WO claimed
US-20040235957-A1 Use of sulfonamide derivatives as pharmaceuticals compounds BLEAKMAN DAVID (US) 2004-11-25 US claimed
EP-1438036-A2 USE OF SULFONAMIDE DERIVATIVES AS PHARMACEUTICALS COMPOUNDS ELI LILLY AND COMPANY (US) 2004-07-21 EP claimed
US-20030225163-A1 Sulfonamide derivatives ELI LILLY AND COMPANY 2003-12-04 US claimed
EP-1311474-A1 SULFONAMIDE DERIVATIVES ELI LILLY AND COMPANY (US) 2003-05-21 EP claimed
US-20030092770-A1 Combination therapy for treatment of depression ELI LILLY AND COMPANY 2003-05-15 US claimed
WO-2003032974-A2 USE OF SULFONAMIDE DERIVATIVES AS PHARMACEUTICALS COMPOUNDS ELI LILLY AND COMPANY (US) 2003-04-24 WO claimed
EP-1292311-A2 COMBINATION THERAPY FOR THE TREATMENT OF DEPRESSION COMPRISING AN ANTIDEPRESSANT AND AN AMPA RECEPTOR POTENTIATOR ELI LILLY AND COMPANY (US) 2003-03-19 EP claimed
WO-2001089530-A2 COMBINATION THERAPY FOR TREATMENT OF DEPRESSION COMPRISING AN ANTIDEPRESSANT AND AN AMPA RECEPTOR POTENTIATOR ELI LILLY AND COMPANY (US) 2001-11-29 WO claimed
WO-2001089510-A2 USE OF AN AMPA RECEPTOR POTENTIATOR FOR THE TREATMENT OF OBESITY ELI LILLY AND COMPANY (US) 2001-11-29 WO claimed
WO-2001090057-A1 SULFONAMIDE DERIVATIVES ELI LILLY AND COMPANY (US) 2001-11-29 WO claimed
US-9315483-B2 Synthesis of deuterated catechols and benzo[D][1,3]dioxoles and derivatives thereof CONCERT PHARMACEUTICALS, INC. (US) 2016-04-19 US disclosed
US-20150196544-A1 NOVEL BENZO[d][1,3]-DIOXOL DERIVATIVES CONCERT PHARMACEUTICALS, INC. 2015-07-16 US disclosed
US-20140336387-A1 SYNTHESIS OF DEUTERATED CATECHOLS AND BENZO[D][1,3]DIOXOLES AND DERIVATIVES THEREOF CONCERT PHARMACEUTICALS, INC. (US) 2014-11-13 US disclosed
US-8822498-B2 Synthesis of deuterated catechols and benzo[D][1,3]dioxoles and derivatives thereof CONCERT PHARMACEUTICALS, INC. (US) 2014-09-02 US disclosed
WO-2002089848-A2 USE OF AN AMPA RECEPTOR POTENTIATOR FOR THE MANUFACTURE OF A MEDICAMENT FOR THE TREATMENT OF TYPE 2 DIABETES ELI LILLY AND COMPANY (US) 2002-11-14 WO disclosed
WO-2001089530-A2 COMBINATION THERAPY FOR TREATMENT OF DEPRESSION COMPRISING AN ANTIDEPRESSANT AND AN AMPA RECEPTOR POTENTIATOR ELI LILLY AND COMPANY (US) 2001-11-29 WO disclosed
WO-2001089510-A2 USE OF AN AMPA RECEPTOR POTENTIATOR FOR THE TREATMENT OF OBESITY ELI LILLY AND COMPANY (US) 2001-11-29 WO disclosed
WO-2001090055-A2 A PROCESS FOR PREPARING BIPHENYL COMPOUNDS ELI LILLY AND COMPANY (US) 2001-11-29 WO disclosed
WO-2001090057-A1 SULFONAMIDE DERIVATIVES ELI LILLY AND COMPANY (US) 2001-11-29 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 (5 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-20030225163-A1 Sulfonamide derivatives GRIN1, SLC1A2, GRIN2A GRIA4 17/4885GRIA1 8/4885GRIA2 10/4885
US-20140336387-A1 SYNTHESIS OF DEUTERATED CATECHOLS AND BENZO[D][1,3]DIOXOLES AND DERIVATIVES THEREOF COMT, DRD2, DRD3 GRIA4 2544/4885GRIA1 2536/4885GRIA2 2040/4885
US-20030092770-A1 Combination therapy for treatment of depression GRM2, GRIK2, GRIN2A GRIA4 18/4885GRIA1 23/4885GRIA2 19/4885
US-20040235957-A1 Use of sulfonamide derivatives as pharmaceuticals compounds GABRE, SCN2A, SCN1A GRIA4 212/4885GRIA1 324/4885GRIA2 176/4885
US-20150196544-A1 NOVEL BENZO[d][1,3]-DIOXOL DERIVATIVES TPH1, HTR1D, HTR1A GRIA4 361/4885GRIA1 344/4885GRIA2 889/4885

“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.