SCHEMBL5877853

SCHEMBL5877853

O=C1NS(=O)(=O)CCC1c1ccc(Br)cc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 1/20 0.37
MAOB P27338 1/20 0.37
POLB P06746 2/20 0.37
MAPT P10636 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
LMNA P02545 2/20 0.36
CYP3A4 P08684 4/20 0.36
CYP2C9 P11712 4/20 0.36
CYP2C19 P33261 3/20 0.36
TSHR P16473 1/20 0.36
ALOX15 P16050 1/20 0.36
MAPK1 P28482 1/20 0.36
DDB1 Q16531 3/20 0.35
CRBN Q96SW2 3/20 0.35
HAO1 Q9UJM8 1/20 0.35
TP53 P04637 1/20 0.34
CYP2D6 P10635 1/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
NPC1 O15118 1/20 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
SCHEMBL6829156 0.83 DDB1 (0.50) TSHRDDB1CRBNTP53KMT2A
SCHEMBL28002365 0.72 PDE4A (0.44) POLBMAPTSMN1; SMN2LMNACYP3A4
SCHEMBL28568849 0.70 KDM1A (0.40) KDM1AMAOBMAPTSMN1; SMN2LMNA
SCHEMBL28453144 0.69 TYK2 (0.40) POLBMAPTSMN1; SMN2LMNACYP3A4
SCHEMBL8183366 0.69 CRBN (0.70) POLBDDB1CRBN
SCHEMBL1673777 0.69 TYK2 (0.40) POLBMAPTSMN1; SMN2LMNACYP3A4
SCHEMBL4065116 0.68 KDM1A (0.38) KDM1AMAOBMAPTSMN1; SMN2
SCHEMBL20267090 0.65 MEN1 (0.39) KDM1AMAOBLMNACYP3A4CYP2C9
SCHEMBL24780723 0.63 KDM1A (0.54) KDM1AMAOBSMN1; SMN2LMNACYP3A4
SCHEMBL4917555 0.62 LIG1 (0.40) KDM1AMAOBMAPTLMNACYP3A4

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 16 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-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-6500865-B1 POTENTIATING GLUTAMATE RECEPTORS BY ADMINISTERING N-1-(4-(4-(2-METHANESULFONAMIDO ETHYL)PHENY)PHENYL)ETHYL 2-PROPANE SULFONAMIDE FOR LEARNING ENHANCEMENT AND PROPHYLAXIS OF NEURODEGENERATIVE DISORDERS, PSYCHOSIS OR ALZHEIMER'S DISEASE ELI LILLY AND COMPANY 2002-12-31 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
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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 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 KDM1A 1010/4885MAOB 917/4885POLB 4247/4885
US-20020002158-A1 Sulphonamide derivatives GRIN2C, GRM1, GRM3 KDM1A 1114/4885MAOB 1740/4885POLB 4606/4885
US-20040097499-A1 Amide, carbamate, and urea derivatives GRIN2A, GLUL, GRIK5 KDM1A 606/4885MAOB 2376/4885POLB 4333/4885

“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.