SCHEMBL2952028

SCHEMBL2952028

COCC(O)CSc1ccccc1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.50
MAOA P21397 1/20 0.48
MAOB P27338 1/20 0.48
BACE1 P56817 2/20 0.48
ALDH1A1 P00352 2/20 0.45
MAPK1 P28482 1/20 0.45
MTNR1A P48039 4/20 0.44
MTNR1B P49286 4/20 0.44
KMT2A Q03164 2/20 0.43
MEN1 O00255 1/20 0.43
HPGD P15428 1/20 0.43
TSHR P16473 1/20 0.43
CA1 P00915 2/20 0.41
CA2 P00918 2/20 0.41
CA4 P22748 2/20 0.41
CA7 P43166 2/20 0.41
CA9 Q16790 2/20 0.41
HSD17B10 Q99714 1/20 0.40
FFAR1 O14842 1/20 0.38
NPC1 O15118 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
SCHEMBL12796824 0.82 MEN1 (0.41) MAPTBACE1ALDH1A1KMT2AMEN1
SCHEMBL916141 0.82 MAOA (0.56) MAPTMAOAMAOBBACE1ALDH1A1
SCHEMBL14865812 0.82 MAOA (0.46) MAPTMAOAMAOBBACE1ALDH1A1
SCHEMBL2950981 0.81 BACE1 (0.45) MAPTMAOAMAOBBACE1ALDH1A1
SCHEMBL23259386 0.80 MTNR1A (0.50) MAOAMAOBBACE1ALDH1A1MTNR1A
SCHEMBL1496667 0.79 MAOA (0.53) MAPTMAOAMAOBBACE1ALDH1A1
SCHEMBL14565232 0.79 MAOA (0.53) MAPTMAOAMAOBBACE1ALDH1A1
Alcohol SCHEMBL914156 0.79 MAOA (0.53) MAPTMAOAMAOBBACE1ALDH1A1
SCHEMBL12859657 0.78 MAOA (0.58) MAPTMAOAMAOBALDH1A1MAPK1
SCHEMBL6166661 0.77 CA1 (0.60) MAOAMAOBBACE1MAPK1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7754886-B2 N-acylsulfonamide apoptosis promoters ABBOTT LABORATORIES (US) 2010-07-13 US disclosed
US-20090137585-A1 N-ACYLSULFONAMIDE APOPTOSIS PROMOTERS ABBOTT LABORATORIES (US) 2009-05-28 US disclosed
US-7504512-B2 N-acylsulfonamide apoptosis promoters ABBOTT LABORATORIES (US) 2009-03-17 US disclosed
EP-1318978-B1 N-ACYLSULFONAMIDE APOPTOSIS PROMOTERS ABBOTT LAB (US) 2006-02-08 EP 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
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
US-20020055631-A1 N-acylsulfonamide apoptosis promoters ABBOTT LABORATORIES 2002-05-09 US disclosed
WO-2002024636-A2 N-ACYLSULFONAMIDE APOPTOSIS PROMOTERS ABBOTT LABORATORIES (US) 2002-03-28 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-20020086887-A1 N-Acylsulfonamide apoptosis promoters BAX, BCLAF1, BCL2 MAPT 4851/4885MAOA 3516/4885MAOB 2822/4885
US-20020055631-A1 N-acylsulfonamide apoptosis promoters BAX, BCLAF1, BCL2 MAPT 4830/4885MAOA 3795/4885MAOB 2882/4885
US-20040192681-A1 N-acylsulfonamide apoptosis promoters BAX, BCLAF1, BCL2 MAPT 4851/4885MAOA 3516/4885MAOB 2822/4885
US-20090137585-A1 N-ACYLSULFONAMIDE APOPTOSIS PROMOTERS BAX, BCL2, BCOR MAPT 4806/4885MAOA 3476/4885MAOB 2224/4885

“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.