SCHEMBL2949405

SCHEMBL2949405

CC(C)(C)OC(=O)CCc1nc2cc(Br)ccc2s1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 2/20 0.47
HDAC6 Q9UBN7 2/20 0.47
DYRK1A Q13627 1/20 0.45
MAPT P10636 6/20 0.45
ALDH1A1 P00352 5/20 0.45
KMT2A Q03164 3/20 0.45
POLB P06746 2/20 0.45
MEN1 O00255 2/20 0.45
L3MBTL1 Q9Y468 2/20 0.44
MAPK1 P28482 1/20 0.44
HTT P42858 1/20 0.43
TRPV1 Q8NER1 2/20 0.43
TUBB4A P04350 1/20 0.41
TUBB P07437 1/20 0.41
TUBA3C P0DPH7 1/20 0.41
TUBA1B P68363 1/20 0.41
TUBA4A P68366 1/20 0.41
TUBB4B P68371 1/20 0.41
TUBB3 Q13509 1/20 0.41
TUBB2A Q13885 1/20 0.41

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
SCHEMBL2945307 0.80 HDAC6 (0.70) PPARAHDAC6DYRK1AMAPTALDH1A1
SCHEMBL20509355 0.80 DYRK1A (0.48) PPARAHDAC6DYRK1ATRPV1TUBB4A
SCHEMBL30466621 0.80 DYRK1A (0.48) PPARAHDAC6DYRK1ATRPV1TUBB4A
SCHEMBL2389042 0.79 DYRK1A (0.49) HDAC6DYRK1AMAPTALDH1A1KMT2A
SCHEMBL12940916 0.78 LIPG (0.41) PPARADYRK1ATRPV1AKR1B1
SCHEMBL25913668 0.78 DYRK1A (0.45) PPARAHDAC6DYRK1ATRPV1TUBB4A
SCHEMBL30515073 0.78 DYRK1A (0.45) PPARAHDAC6DYRK1ATRPV1TUBB4A
SCHEMBL2404805 0.74 L3MBTL1 (0.45) HDAC6DYRK1AMAPTALDH1A1L3MBTL1
SCHEMBL25321539 0.74 DYRK1A (0.42) PPARAHDAC6DYRK1ATRPV1TUBB4A
SCHEMBL5946247 0.74 DYRK1A (0.47) PPARAHDAC6DYRK1AMAPTALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240016941-A1 COMBINATION THERAPY ANTABIO SAS (FR) 2024-01-18 US disclosed
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
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

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

For each of this compound's patents that has machine-readable text (5 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 PPARA 2308/4885HDAC6 803/4885DYRK1A 4792/4885
US-20020055631-A1 N-acylsulfonamide apoptosis promoters BAX, BCLAF1, BCL2 PPARA 2014/4885HDAC6 578/4885DYRK1A 4777/4885
US-20040192681-A1 N-acylsulfonamide apoptosis promoters BAX, BCLAF1, BCL2 PPARA 2308/4885HDAC6 803/4885DYRK1A 4792/4885
US-20240016941-A1 COMBINATION THERAPY CFTR, ABCB11, SLC26A4 PPARA 1856/4885HDAC6 464/4885DYRK1A 2557/4885
US-20090137585-A1 N-ACYLSULFONAMIDE APOPTOSIS PROMOTERS BAX, BCL2, BCOR PPARA 1184/4885HDAC6 334/4885DYRK1A 4703/4885

“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.