SCHEMBL2950828

SCHEMBL2950828

O=C(O)c1ccc(-c2ccsc2Cl)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXRA P19793 1/20 0.47
RXRB P28702 1/20 0.47
TSHR P16473 2/20 0.47
ALOX15 P16050 1/20 0.47
SRD5A2 P31213 3/20 0.46
CYP2A6 P11509 1/20 0.46
HDAC3 O15379 1/20 0.45
HDAC4 P56524 1/20 0.45
HDAC1 Q13547 1/20 0.45
HDAC7 Q8WUI4 1/20 0.45
HDAC2 Q92769 1/20 0.45
HDAC10 Q969S8 1/20 0.45
HDAC11 Q96DB2 1/20 0.45
HDAC8 Q9BY41 1/20 0.45
HDAC6 Q9UBN7 1/20 0.45
HDAC9 Q9UKV0 1/20 0.45
HDAC5 Q9UQL6 1/20 0.45
TP53 P04637 1/20 0.44
KDM4E B2RXH2 5/20 0.43
NPC1 O15118 4/20 0.43

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
SCHEMBL8440654 0.80 RXRA (0.54) RXRARXRBCYP2A6HDAC1HDAC6
SCHEMBL2040391 0.78 RXRA (0.47) RXRARXRBTSHRSRD5A2HDAC3
SCHEMBL7451509 0.76 CYP2A6 (0.56) CYP2A6KDM4ESMN1; SMN2BCL2L1ALDH1A1
SCHEMBL547061 0.76 CYP2A6 (0.50) CYP2A6RAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL8649337 0.76 CYP2A6 (0.60) CYP2A6BCL2L1ALDH1A1
SCHEMBL3195110 0.74 HDAC3 (0.45) TSHRHDAC3HDAC4HDAC1HDAC7
SCHEMBL1493658 0.74 RXRA (0.47) RXRARXRBTSHRHDAC3HDAC4
Formic Acid SCHEMBL10703550 0.71 CYP2A6 (0.44) TSHRALOX15CYP2A6MEN1KMT2A
SCHEMBL6256292 0.71 DAO (0.52) RXRARXRBTSHRALOX15SRD5A2
SCHEMBL23501870 0.71 TSHR (0.63) RXRARXRBTSHRALOX15SRD5A2

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 RXRA 2726/4885RXRB 2152/4885TSHR 4377/4885
US-20020055631-A1 N-acylsulfonamide apoptosis promoters BAX, BCLAF1, BCL2 RXRA 3190/4885RXRB 2453/4885TSHR 4350/4885
US-20040192681-A1 N-acylsulfonamide apoptosis promoters BAX, BCLAF1, BCL2 RXRA 2726/4885RXRB 2152/4885TSHR 4377/4885
US-20090137585-A1 N-ACYLSULFONAMIDE APOPTOSIS PROMOTERS BAX, BCL2, BCOR RXRA 2476/4885RXRB 1664/4885TSHR 4129/4885

“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.