SCHEMBL2945217

SCHEMBL2945217

CCC1(OC)CCN(c2ccc(C(=O)OC(C)(C)C)cc2)CC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.42
GPR119 Q8TDV5 4/20 0.41
SMN1; SMN2 Q16637 6/20 0.40
MAPT P10636 4/20 0.40
LMNA P02545 3/20 0.40
KMT2A Q03164 3/20 0.39
MEN1 O00255 2/20 0.39
CYP2C19 P33261 1/20 0.39
CRBN Q96SW2 1/20 0.39
HTT P42858 3/20 0.38
NPSR1 Q6W5P4 1/20 0.38
GAA P10253 1/20 0.37
ITGB3 P05106 1/20 0.37
ITGA2B P08514 1/20 0.37
KDM4E B2RXH2 1/20 0.37
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA9 Q16790 1/20 0.36
CA14 Q9ULX7 1/20 0.36

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
SCHEMBL2950575 0.85 GRIN2B (0.41) ALDH1A1GPR119SMN1; SMN2MAPTLMNA
SCHEMBL2952388 0.85 GPR119 (0.43) ALDH1A1GPR119SMN1; SMN2MAPTLMNA
SCHEMBL2951396 0.83 ALDH1A1 (0.45) ALDH1A1GPR119SMN1; SMN2MAPTLMNA
SCHEMBL2942401 0.83 USP2 (0.50) ALDH1A1SMN1; SMN2MAPTLMNAKMT2A
SCHEMBL21410022 0.80 ALDH1A1 (0.45) ALDH1A1GPR119SMN1; SMN2MAPTLMNA
SCHEMBL8159908 0.78 MAPT (0.51) ALDH1A1GPR119SMN1; SMN2MAPTLMNA
SCHEMBL2302426 0.78 HPGD (0.54) ALDH1A1SMN1; SMN2MAPTLMNAKMT2A
SCHEMBL2951872 0.78 GPR119 (0.43) ALDH1A1GPR119SMN1; SMN2MAPTLMNA
SCHEMBL31467017 0.77 GPR119 (0.43) ALDH1A1GPR119SMN1; SMN2MAPTLMNA
SCHEMBL24532205 0.77 LMNA (0.35) SMN1; SMN2MAPTLMNAKMT2AMEN1

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 ALDH1A1 2651/4885GPR119 2476/4885SMN1; SMN2 1440/4885
US-20020055631-A1 N-acylsulfonamide apoptosis promoters BAX, BCLAF1, BCL2 ALDH1A1 2460/4885GPR119 2296/4885SMN1; SMN2 1656/4885
US-20040192681-A1 N-acylsulfonamide apoptosis promoters BAX, BCLAF1, BCL2 ALDH1A1 2651/4885GPR119 2476/4885SMN1; SMN2 1440/4885
US-20090137585-A1 N-ACYLSULFONAMIDE APOPTOSIS PROMOTERS BAX, BCL2, BCOR ALDH1A1 3404/4885GPR119 2003/4885SMN1; 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.