SCHEMBL377068

SCHEMBL377068

CC(C)(N)CSc1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.48
MAPK1 P28482 1/20 0.48
MAOA P21397 1/20 0.47
MAOB P27338 1/20 0.47
TAAR1 Q96RJ0 2/20 0.46
SLC6A2 P23975 1/20 0.46
FFAR1 O14842 1/20 0.40
CYP1A2 P05177 2/20 0.39
CYP3A4 P08684 2/20 0.39
CYP2D6 P10635 2/20 0.39
PRMT1 Q99873 1/20 0.39
MTNR1A P48039 1/20 0.36
MTNR1B P49286 1/20 0.36
CYP2C19 P33261 1/20 0.36
MAPT P10636 1/20 0.36
HPGD P15428 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
MGLL Q99685 1/20 0.36
HSD17B10 Q99714 1/20 0.36
CA1 P00915 1/20 0.35

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
SCHEMBL4984715 0.81 ALDH1A1 (0.52) ALDH1A1MAPK1MAOAMAOBTAAR1
SCHEMBL10080198 0.81 ALDH1A1 (0.52) ALDH1A1MAPK1MAOAMAOBFFAR1
SCHEMBL5635116 0.80 HPGD (0.42) ALDH1A1MAPK1MAPTHPGDL3MBTL1
SCHEMBL7242677 0.78 MEN1 (0.41) ALDH1A1MAPK1CYP1A2CYP3A4CYP2D6
SCHEMBL7245394 0.78 SLC6A2 (0.50) ALDH1A1MAOAMAOBSLC6A2MAPT
SCHEMBL7246789 0.78 ALDH1A1 (0.55) ALDH1A1MAPK1CYP1A2CYP3A4CYP2D6
SCHEMBL7243541 0.78 ANPEP (0.44) ALDH1A1CYP1A2CYP3A4CYP2C19HPGD
SCHEMBL98008 0.77 ALDH1A1 (0.48) ALDH1A1MAPK1MAOAMAOBFFAR1
SCHEMBL98007 0.77 ALDH1A1 (0.48) ALDH1A1MAPK1MAOAMAOBFFAR1
SCHEMBL1527726 0.77 ALDH1A1 (0.48) ALDH1A1MAPK1MAOAMAOBFFAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050009845-A1 Thienopyrimidine compounds as protein tyrosine kinase inhibitors SMITHKLINE BEECHAM CORPORATION 2005-01-13 US claimed
EP-3048098-A1 N-ACYLSULFONAMIDE APOPTOSIS PROMOTERS AbbVie Bahamas Limited (BS) 2016-07-27 EP disclosed
EP-1685119-B1 N-ACYLSULFONAMIDE APOPTOSIS PROMOTERS ABBVIE BAHAMAS LTD (BS) 2016-03-09 EP disclosed
US-9045444-B2 Apoptosis promoters ABBVIE INC. (US) 2015-06-02 US disclosed
US-20140187531-A1 APOPTOSIS PROMOTERS ABBVIE INC. (US) 2014-07-03 US disclosed
EP-2308812-B1 N-ACYLSULFONAMIDE APOPTOSIS PROMOTERS ABBVIE BAHAMAS LTD (BS) 2014-02-26 EP disclosed
US-8614318-B2 Apoptosis promoters ABBVIE INC. (US) 2013-12-24 US disclosed
US-20130190488-A1 APOPTOSIS PROMOTERS ABBOTT LABORATORIES (US) 2013-07-25 US disclosed
US-8354404-B2 Apoptosis promoters ABBOTT LABORATORIES (US) 2013-01-15 US disclosed
US-8173811-B2 Apoptosis promoters ABBOTT LABORATORIES (US) 2012-05-08 US disclosed
US-20040192681-A1 N-acylsulfonamide apoptosis promoters ABBVIE INC. 2004-09-30 US disclosed
US-6720338-B2 BCL-X1 INHIBITING COMPOSITIONS AND METHODS OF PROMOTING APOPTOSIS IN A MAMMAL ABBOTT LABORATORIES 2004-04-13 US disclosed
US-6639109-B1 Reacting amino alcohol with sulfuric acid then reacting resulting amino sulfate with a mercaptan; simple, safe, rapid NIHON NOHYAKU CO., LTD. (JP) 2003-10-28 US disclosed
EP-1318978-A2 N-ACYLSULFONAMIDE APOPTOSIS PROMOTERS Abbott Laboratories (US) 2003-06-18 EP disclosed
US-20020086887-A1 N-Acylsulfonamide apoptosis promoters ABBVIE INC. 2002-07-04 US disclosed
EP-1216988-A1 THIOALKYLAMINE DERIVATIVES AND PROCESS FOR THE PREPARATION THEREOF Nihon Nohyaku Co., Ltd. (JP) 2002-06-26 EP disclosed
US-20020055631-A1 N-acylsulfonamide apoptosis promoters ABBOTT LABORATORIES 2002-05-09 US disclosed
US-20020052513-A1 Oxamide IMPDH inhibitors HOFFMANN-LA ROCHE INC. 2002-05-02 US disclosed
WO-2002024636-A2 N-ACYLSULFONAMIDE APOPTOSIS PROMOTERS ABBOTT LABORATORIES (US) 2002-03-28 WO disclosed
EP-1127883-A2 Oxamides as IMPDH inhibitors F. HOFFMANN-LA ROCHE AG (CH) 2001-08-29 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 (7 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-20020086887-A1 N-Acylsulfonamide apoptosis promoters BAX, BCLAF1, BCL2 ALDH1A1 2651/4885MAPK1 2657/4885MAOA 3516/4885
US-20020055631-A1 N-acylsulfonamide apoptosis promoters BAX, BCLAF1, BCL2 ALDH1A1 2460/4885MAPK1 2730/4885MAOA 3795/4885
US-20040192681-A1 N-acylsulfonamide apoptosis promoters BAX, BCLAF1, BCL2 ALDH1A1 2651/4885MAPK1 2657/4885MAOA 3516/4885
US-20050009845-A1 Thienopyrimidine compounds as protein tyrosine kinase inhibitors ERBB2, ERBB4, ERBB3 ALDH1A1 1548/4885MAPK1 147/4885MAOA 1613/4885
US-20130190488-A1 APOPTOSIS PROMOTERS BAX, BCL2, API5 ALDH1A1 3731/4885MAPK1 3503/4885MAOA 2958/4885
US-20020052513-A1 Oxamide IMPDH inhibitors IMPDH1, IMPDH2, IMPA1 ALDH1A1 33/4885MAPK1 2430/4885MAOA 331/4885
US-20140187531-A1 APOPTOSIS PROMOTERS BAX, BCL2, API5 ALDH1A1 3731/4885MAPK1 3503/4885MAOA 2958/4885

“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.