SCHEMBL5877530

SCHEMBL5877530

C[C@H](CNC(=O)OC(C)(C)C)c1ccc(Br)cc1

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
AAK1 Q2M2I8 7/20 0.50
NPC1 O15118 1/20 0.46
RECQL P46063 1/20 0.46
RAB9A P51151 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
CTSS P25774 1/20 0.45
CTSK P43235 1/20 0.45
SYK P43405 1/20 0.41
SERPINE1 P05121 1/20 0.41
FPR3 P25089 4/20 0.41
FPR2 P25090 4/20 0.41
PCSK9 Q8NBP7 1/20 0.40
ALDH1A1 P00352 1/20 0.40
MAPT P10636 1/20 0.40
CYP1A2 P05177 1/20 0.39

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
SCHEMBL255676 1.00 AAK1 (0.50) AAK1NPC1RECQLRAB9ASMN1; SMN2
SCHEMBL2552301 1.00 AAK1 (0.50) AAK1NPC1RECQLRAB9ASMN1; SMN2
SCHEMBL12817338 0.87 ACHE (0.44) AAK1CTSSCTSKSYKSERPINE1
SCHEMBL17373694 0.85 AAK1 (0.47) AAK1NPC1RECQLRAB9ASMN1; SMN2
SCHEMBL165863 0.85 SYK (0.41) AAK1NPC1RAB9ACTSSCTSK
SCHEMBL30257063 0.85 AAK1 (0.47) AAK1NPC1RECQLRAB9ASMN1; SMN2
SCHEMBL1554098 0.85 AAK1 (0.47) AAK1NPC1RECQLRAB9ASMN1; SMN2
SCHEMBL10318066 0.85 CTSK (0.52) NPC1RAB9ACTSSCTSKSYK
SCHEMBL10318067 0.85 CTSK (0.52) NPC1RAB9ACTSSCTSKSYK
SCHEMBL19847664 0.85 CTSK (0.52) NPC1RAB9ACTSSCTSKSYK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7135487-B2 such as N-2-(4-Bromophenyl)propyl methanesulfonamide; sulfonamidation of the amine; glutamate receptor potentiators ELI LILLY AND COMPANY (US) 2006-11-14 US disclosed
US-20060030599-A1 SULPHONAMIDE DERIVATIVES ARNOLD MACKLIN B 2006-02-09 US disclosed
EP-1528055-A2 Sulphonamide Derivatives Eli Lilly & Company (US) 2005-05-04 EP disclosed
EP-0860428-B1 Sulphonamide derivatives LILLY CO ELI (US) 2004-12-08 EP disclosed
US-20040097499-A1 Amide, carbamate, and urea derivatives ARNOLD MACKLIN BRIAN (US) 2004-05-20 US disclosed
US-20040054009-A1 (BIS)sulfonamide derivatives KNOBELSDORF JAMES ALLEN (US) 2004-03-18 US disclosed
US-6617351-B1 Amide, carbamate, and urea derivatives ELI LILLY AND COMPANY 2003-09-09 US disclosed
US-6596716-B2 2-propane-sulphonamide derivatives ELI LILLY AND COMPANY 2003-07-22 US disclosed
US-6525099-B1 Potentiating glutamate receptor function; psychiatric and neurological disorders ELI LILLY AND COMPANY 2003-02-25 US disclosed
US-6521605-B1 Potentiating glutamate receptor function; treating such as psychiatric and neurological disorders ELI LILLY AND COMPANY 2003-02-18 US disclosed
US-20020002158-A1 Sulphonamide derivatives ARNOLD MACKLIN B (US) 2002-01-03 US disclosed
US-6303816-B1 Sulphonamide derivatives ELI LILLY AND COMPANY 2001-10-16 US disclosed
CN-1251523-A Sulfonamide derivatives LILLY CO ELI (US) 2000-04-26 CN disclosed
WO-2000006176-A1 AMIDOPHOSPHATE DERIVATIVES ELI LILLY AND COMPANY (US) 2000-02-10 WO disclosed
WO-2000006537-A1 N-SUBSTITUTED SULFONAMIDE DERIVATIVES ELI LILLY AND COMPANY (US) 2000-02-10 WO disclosed
EP-0976744-A1 Amide, carbamate, and urea derivatives having glutamate receptor function potentiating activity ELI LILLY AND COMPANY (US) 2000-02-02 EP disclosed
EP-0860428-A2 Sulphonamide derivatives ELI LILLY AND COMPANY (US) 1998-08-26 EP disclosed
WO-1998033496-A1 SULPHONAMIDE DERIVATIVES ELI LILLY AND COMPANY (US) 1998-08-06 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 (4 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-20060030599-A1 SULPHONAMIDE DERIVATIVES GRIN2C, GLRA2, GLRA1 AAK1 4269/4885NPC1 2454/4885RECQL 3502/4885
US-20020002158-A1 Sulphonamide derivatives GRIN2C, GRM1, GRM3 AAK1 3564/4885NPC1 1676/4885RECQL 3444/4885
US-20040054009-A1 (BIS)sulfonamide derivatives GRIN2A, GRIN2B, GABRE AAK1 2913/4885NPC1 3150/4885RECQL 4747/4885
US-20040097499-A1 Amide, carbamate, and urea derivatives GRIN2A, GLUL, GRIK5 AAK1 1545/4885NPC1 1561/4885RECQL 4637/4885

“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.