SCHEMBL5877900

SCHEMBL5877900

NCCCc1ccc(-c2ccsc2)cc1

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYP17A1 P05093 1/20 0.50
CYP11B1 P15538 1/20 0.50
CYP11B2 P19099 1/20 0.50
AKT2 P31751 1/20 0.47
TAAR1 Q96RJ0 1/20 0.47
CYP2A6 P11509 3/20 0.45
CYP2E1 P05181 2/20 0.45
CYP2B6 P20813 2/20 0.45
KCNH2 Q12809 1/20 0.43
MAOB P27338 5/20 0.40
MAOA P21397 1/20 0.39
SYK P43405 1/20 0.39
HTR2A P28223 1/20 0.38
HRH3 Q9Y5N1 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
SCHEMBL15245000 0.82 AKT2 (0.62) AKT2TAAR1CYP2A6MAOBMAOA
SCHEMBL28244556 0.81 RARB (0.50) CYP17A1CYP11B1CYP11B2CYP2A6CYP2E1
SCHEMBL112385 0.80 HRH3 (0.61) CYP17A1CYP11B1CYP11B2TAAR1CYP2A6
SCHEMBL13959460 0.80 PRMT6 (0.56) TAAR1CYP2A6CYP2E1CYP2B6KCNH2
SCHEMBL142335 0.79 HSD17B10 (0.54) CYP17A1CYP11B1CYP11B2HTR2AHRH3
SCHEMBL5412587 0.79 HSD17B10 (0.54) CYP17A1CYP11B1CYP11B2HTR2AHRH3
SCHEMBL22744325 0.79 CYP17A1 (0.47) CYP17A1CYP11B1CYP11B2CYP2A6CYP2E1
SCHEMBL5990708 0.79 HSD17B10 (0.54) CYP17A1CYP11B1CYP11B2HTR2AHRH3
SCHEMBL4448358 0.78
SCHEMBL4612023 0.77 CYP17A1 (0.53) CYP17A1CYP11B1CYP11B2CYP2A6CYP2E1

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-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
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 CYP17A1 3834/4885CYP11B1 2661/4885CYP11B2 2020/4885
US-20020002158-A1 Sulphonamide derivatives GRIN2C, GRM1, GRM3 CYP17A1 2613/4885CYP11B1 2164/4885CYP11B2 2194/4885
US-20040054009-A1 (BIS)sulfonamide derivatives GRIN2A, GRIN2B, GABRE CYP17A1 1630/4885CYP11B1 1177/4885CYP11B2 1002/4885
US-20040097499-A1 Amide, carbamate, and urea derivatives GRIN2A, GLUL, GRIK5 CYP17A1 4681/4885CYP11B1 4348/4885CYP11B2 4344/4885

“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.