SCHEMBL2945307

SCHEMBL2945307

O=C(O)CCc1nc2cc(Br)ccc2s1

nearest known ligand 0.70

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 3/20 0.70
ALOX15 P16050 1/20 0.54
HTT P42858 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
AKR1B1 P15121 5/20 0.50
HPGD P15428 2/20 0.49
RAB9A P51151 1/20 0.49
DYRK1A Q13627 1/20 0.49
PPARA Q07869 2/20 0.48
TRPV1 Q8NER1 2/20 0.47
GAA P10253 1/20 0.44
MAPK1 P28482 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
AKR1A1 P14550 1/20 0.43
ALDH1A1 P00352 1/20 0.42
MAPT P10636 1/20 0.42
ADORA1 P30542 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
SCHEMBL24330810 0.88 HDAC6 (0.68) HDAC6ALOX15HTTSMN1; SMN2AKR1B1
SCHEMBL16198162 0.82 HDAC6 (1.00) HDAC6ALOX15HTTSMN1; SMN2AKR1B1
SCHEMBL24332396 0.82 HDAC6 (0.70) HDAC6ALOX15HTTSMN1; SMN2AKR1B1
SCHEMBL489036 0.81 TRPV1 (0.48) HDAC6ALOX15HTTSMN1; SMN2AKR1B1
SCHEMBL1514591 0.81 HDAC6 (1.00) HDAC6ALOX15HTTSMN1; SMN2HPGD
SCHEMBL2949405 0.80 PPARA (0.47) HDAC6HTTAKR1B1DYRK1APPARA
SCHEMBL27281641 0.80 DYRK1A (0.44) HDAC6AKR1B1RAB9ADYRK1APPARA
SCHEMBL2948981 0.79 MAPT (0.48) HDAC6HTTSMN1; SMN2AKR1B1HPGD
SCHEMBL31626440 0.79 HDAC6 (0.65) HDAC6ALOX15HTTSMN1; SMN2AKR1B1
SCHEMBL2389042 0.79 DYRK1A (0.49) HDAC6ALOX15HTTSMN1; SMN2HPGD

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 HDAC6 803/4885ALOX15 1660/4885HTT 3524/4885
US-20020055631-A1 N-acylsulfonamide apoptosis promoters BAX, BCLAF1, BCL2 HDAC6 578/4885ALOX15 1942/4885HTT 3398/4885
US-20040192681-A1 N-acylsulfonamide apoptosis promoters BAX, BCLAF1, BCL2 HDAC6 803/4885ALOX15 1660/4885HTT 3524/4885
US-20090137585-A1 N-ACYLSULFONAMIDE APOPTOSIS PROMOTERS BAX, BCL2, BCOR HDAC6 334/4885ALOX15 1938/4885HTT 2725/4885

“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.