SCHEMBL2951399

SCHEMBL2951399

Cc1cccc(-c2ccc(C(=O)O)cc2)c1C

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 1/20 0.51
RXRA P19793 4/20 0.47
RXRB P28702 3/20 0.47
ALDH1A1 P00352 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
FOLH1 Q04609 1/20 0.46
TTR P02766 1/20 0.46
MYC P01106 1/20 0.44
TP53 P04637 1/20 0.44
TSHR P16473 1/20 0.44
RARB P10826 1/20 0.44
RARG P13631 1/20 0.44
RXRG P48443 1/20 0.44
BCL2 P10415 1/20 0.44
MCL1 Q07820 1/20 0.42
SRD5A2 P31213 1/20 0.42
BCL2L1 Q07817 1/20 0.42
BAD Q92934 1/20 0.42
CYP2C8 P10632 1/20 0.42

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
SCHEMBL30159253 1.00 NR1H4 (0.51) NR1H4RXRARXRBALDH1A1SMN1; SMN2
Benzoic Acid SCHEMBL28364522 0.91 NR1H4 (0.50) NR1H4RXRARXRBALDH1A1MYC
SCHEMBL10304767 0.86 RAB9A (0.50) NR1H4ALDH1A1MYCSRD5A2
SCHEMBL10304728 0.85 HSD17B1 (0.53) ALDH1A1SMN1; SMN2
SCHEMBL2772423 0.85 NR1H4 (0.62) NR1H4RXRARXRBALDH1A1SMN1; SMN2
SCHEMBL29396992 0.85 NR1H4 (0.62) NR1H4RXRARXRBALDH1A1SMN1; SMN2
SCHEMBL3898826 0.84 MKNK1 (0.57) NR1H4TSHR
SCHEMBL31743281 0.84 PTGES (0.40) NR1H4ALDH1A1MYCMCL1
SCHEMBL6566323 0.84 RXRA (0.46) NR1H4RXRARXRBALDH1A1SMN1; SMN2
Hydrochloric Acid SCHEMBL5483884 0.83 NR1H4 (0.60) NR1H4RXRARXRBALDH1A1SMN1; SMN2

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 12 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
EP-1140072-B1 COMPOUNDS AND METHODS SMITHKLINE BEECHAM CORP (US) 2004-04-14 EP disclosed
US-6720338-B2 BCL-X1 INHIBITING COMPOSITIONS AND METHODS OF PROMOTING APOPTOSIS IN A MAMMAL ABBOTT LABORATORIES 2004-04-13 US disclosed
EP-1140072-A4 COMPOUNDS AND METHODS SMITHKLINE BEECHAM CORP (US) 2003-04-16 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
EP-1140072-A1 COMPOUNDS AND METHODS SMITHKLINE BEECHAM CORPORATION (US) 2001-10-10 EP disclosed
WO-2000040239-A1 COMPOUNDS AND METHODS SMITHKLINE BEECHAM CORPORATION (US) 2000-07-13 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 NR1H4 2255/4885RXRA 2726/4885RXRB 2152/4885
US-20020055631-A1 N-acylsulfonamide apoptosis promoters BAX, BCLAF1, BCL2 NR1H4 2388/4885RXRA 3190/4885RXRB 2453/4885
US-20040192681-A1 N-acylsulfonamide apoptosis promoters BAX, BCLAF1, BCL2 NR1H4 2255/4885RXRA 2726/4885RXRB 2152/4885
US-20090137585-A1 N-ACYLSULFONAMIDE APOPTOSIS PROMOTERS BAX, BCL2, BCOR NR1H4 2375/4885RXRA 2476/4885RXRB 1664/4885

“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.