SCHEMBL2949539

SCHEMBL2949539

COC(=O)c1ccc(C2=CCC(C)(O)CC2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
SETD7 Q8WTS6 1/20 0.42
CA1 P00915 4/20 0.42
CA2 P00918 4/20 0.42
CA12 O43570 3/20 0.42
CA9 Q16790 3/20 0.42
CA14 Q9ULX7 3/20 0.42
TDP1 Q9NUW8 1/20 0.42
CA7 P43166 1/20 0.42
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
TSHR P16473 1/20 0.40
ALDH1A1 P00352 2/20 0.39
KDM4E B2RXH2 2/20 0.39
MAPT P10636 3/20 0.39
PTPN1 P18031 1/20 0.38
LOXL2 Q9Y4K0 1/20 0.38
CYP2C19 P33261 1/20 0.38

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
SCHEMBL2949256 0.83 RARB (0.42) TSHRMAPT
SCHEMBL2945528 0.79 IKBKE (0.41) NPC1RAB9ASMN1; SMN2SETD7CA1
SCHEMBL9295486 0.77 CA1 (0.53) SETD7CA1CA2CA12CA9
SCHEMBL26090324 0.73 CA1 (0.48) SETD7CA1CA2CA12CA9
SCHEMBL2944680 0.72 ALDH1A1 (0.48) CA1CA2CA12CA9CA14
SCHEMBL2949295 0.71 ALDH1A1 (0.47) CA1CA2CA12CA9CA14
SCHEMBL2950950 0.71 ALDH1A1 (0.47) CA1CA2CA12CA9CA14
SCHEMBL2949298 0.71 ALDH1A1 (0.47) CA1CA2CA12CA9CA14
SCHEMBL613237 0.71 CA1 (0.46) SMN1; SMN2SETD7CA1CA2CA12
SCHEMBL19387238 0.71 CA1 (0.70) RAB9ASETD7CA1CA2CA12

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 NPC1 2540/4885RAB9A 4211/4885SMN1; SMN2 1440/4885
US-20020055631-A1 N-acylsulfonamide apoptosis promoters BAX, BCLAF1, BCL2 NPC1 2435/4885RAB9A 3769/4885SMN1; SMN2 1656/4885
US-20040192681-A1 N-acylsulfonamide apoptosis promoters BAX, BCLAF1, BCL2 NPC1 2540/4885RAB9A 4211/4885SMN1; SMN2 1440/4885
US-20090137585-A1 N-ACYLSULFONAMIDE APOPTOSIS PROMOTERS BAX, BCL2, BCOR NPC1 3122/4885RAB9A 3753/4885SMN1; SMN2 1713/4885

“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.