SCHEMBL2951969

SCHEMBL2951969

COC(=O)c1ccc(-c2ccc(CCCN3CCN(C(=O)OC(C)(C)C)CC3)cc2OC)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 1/20 0.45
PKM P14618 1/20 0.45
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
KMT5A Q9NQR1 1/20 0.43
HRH1 P35367 1/20 0.43
SIGMAR1 Q99720 5/20 0.43
CD274 Q9NZQ7 1/20 0.42
GPR119 Q8TDV5 1/20 0.42
ACKR3 P25106 2/20 0.42
HTR1A P08908 1/20 0.42
HTR7 P34969 1/20 0.42
EBP Q15125 2/20 0.41
TMEM97 Q5BJF2 1/20 0.41
ROCK2 O75116 1/20 0.41
PDE4A P27815 1/20 0.41
PDE4B Q07343 1/20 0.41
PDE4C Q08493 1/20 0.41
PDE4D Q08499 1/20 0.41
EBPL Q9BY08 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
SCHEMBL2948966 0.94 CHRM3 (0.45) PKMKMT5ACD274GPR119ROCK2
SCHEMBL2950934 0.92 MEN1 (0.47) DRD2MEN1KMT2AKMT5ASIGMAR1
SCHEMBL2942308 0.87 PKM (0.44) PKMMEN1KMT2AGPR119ROCK2
SCHEMBL2950817 0.86 CHKA (0.54) DRD2MEN1KMT2AHRH1SIGMAR1
SCHEMBL31752526 0.86 DRD2 (0.56) DRD2PKMMEN1KMT2AHRH1
SCHEMBL2948523 0.86 CHRM3 (0.48) SIGMAR1CD274GPR119EBPTMEM97
SCHEMBL2949603 0.83 BCL2 (0.52) HRH1CD274LMNASMN1; SMN2
SCHEMBL20046105 0.82 HRH1 (0.55) DRD2PKMMEN1KMT2AHRH1
SCHEMBL2949961 0.80 CHKA (0.56) KMT2ASIGMAR1EBPTMEM97EBPL
SCHEMBL1742600 0.80 SIGMAR1 (0.49) DRD2PKMMEN1KMT2AKMT5A

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 8 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
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

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 DRD2 4742/4885PKM 4646/4885MEN1 4542/4885
US-20020055631-A1 N-acylsulfonamide apoptosis promoters BAX, BCLAF1, BCL2 DRD2 4792/4885PKM 4553/4885MEN1 4627/4885
US-20040192681-A1 N-acylsulfonamide apoptosis promoters BAX, BCLAF1, BCL2 DRD2 4742/4885PKM 4646/4885MEN1 4542/4885
US-20090137585-A1 N-ACYLSULFONAMIDE APOPTOSIS PROMOTERS BAX, BCL2, BCOR DRD2 4804/4885PKM 4415/4885MEN1 4816/4885

“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.