SCHEMBL2948966

SCHEMBL2948966

COC(=O)c1ccc(-c2ccc(CCN3CCN(C(=O)OC(C)(C)C)CC3)cc2OC)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM3 P20309 1/20 0.45
PKM P14618 1/20 0.44
GPR119 Q8TDV5 4/20 0.43
CD274 Q9NZQ7 1/20 0.43
ROCK2 O75116 1/20 0.42
LMNA P02545 1/20 0.42
MAPT P10636 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
HDAC1 Q13547 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42
PDE4A P27815 2/20 0.42
PDE4B Q07343 2/20 0.42
PDE4C Q08493 2/20 0.42
PDE4D Q08499 2/20 0.42
ALDH1A1 P00352 1/20 0.41
CHKA P35790 1/20 0.41
SUV39H2 Q9H5I1 1/20 0.41
P2RX3 P56373 1/20 0.41
EGFR P00533 1/20 0.41
KMT5A Q9NQR1 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
SCHEMBL2951969 0.94 DRD2 (0.45) PKMGPR119CD274ROCK2LMNA
SCHEMBL2948523 0.91 CHRM3 (0.48) CHRM3GPR119CD274ROCK2LMNA
SCHEMBL2942308 0.89 PKM (0.44) PKMGPR119ROCK2LMNAMAPT
SCHEMBL2949961 0.86 CHKA (0.56) CHRM3LMNAMAPTALDH1A1CHKA
SCHEMBL2950934 0.86 MEN1 (0.47) CHRM3GPR119CD274ROCK2PDE4A
SCHEMBL28400351 0.86 HDAC1 (0.51) PKMLMNAMAPTSMN1; SMN2HDAC1
SCHEMBL1332850 0.83 CHRM3 (0.56) CHRM3P2RX3
SCHEMBL2951704 0.82 SMN1; SMN2 (0.52) CD274SMN1; SMN2ALDH1A1
SCHEMBL2951550 0.81 HDAC1 (0.51) PKMGPR119ROCK2LMNAMAPT
SCHEMBL2950817 0.80 CHKA (0.54) ALDH1A1CHKA

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 CHRM3 4878/4885PKM 4646/4885GPR119 2476/4885
US-20020055631-A1 N-acylsulfonamide apoptosis promoters BAX, BCLAF1, BCL2 CHRM3 4884/4885PKM 4553/4885GPR119 2296/4885
US-20040192681-A1 N-acylsulfonamide apoptosis promoters BAX, BCLAF1, BCL2 CHRM3 4878/4885PKM 4646/4885GPR119 2476/4885
US-20090137585-A1 N-ACYLSULFONAMIDE APOPTOSIS PROMOTERS BAX, BCL2, BCOR CHRM3 4884/4885PKM 4415/4885GPR119 2003/4885

“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.