SCHEMBL2951697

SCHEMBL2951697

COc1cc(CN2CCN(C(=O)OC(C)(C)C)CC2=O)ccc1-c1ccc(C(=O)O)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 1/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
GPR119 Q8TDV5 6/20 0.40
ADRB1 P08588 1/20 0.40
ADRB3 P13945 1/20 0.40
TP53 P04637 1/20 0.40
CYP46A1 Q9Y6A2 1/20 0.40
ABCB1 P08183 1/20 0.39
ABCC1 P33527 1/20 0.39
PDE4A P27815 3/20 0.39
PDE4B Q07343 3/20 0.39
PDE4C Q08493 3/20 0.39
PDE4D Q08499 3/20 0.39
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
LMNA P02545 1/20 0.37
MAPT P10636 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
RORC P51449 1/20 0.37

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
SCHEMBL2951550 0.92 HDAC1 (0.51) ROCK2HDAC1HDAC6GPR119TP53
SCHEMBL1081669 0.85 HDAC1 (0.50) HDAC1HDAC6GPR119TP53CYP46A1
SCHEMBL6980504 0.81 ABCB1 (0.42) ROCK2HDAC1HDAC6ADRB1ADRB3
SCHEMBL2948523 0.80 CHRM3 (0.48) ROCK2GPR119ADRB1ADRB3PDE4A
SCHEMBL2950934 0.79 MEN1 (0.47) ROCK2GPR119ADRB1ADRB3PDE4A
SCHEMBL1017443 0.77 HDAC1 (0.65) HDAC1HDAC6TP53MEN1KMT2A
SCHEMBL2262766 0.77 CYP3A4 (0.52) HDAC1HDAC6TP53LMNAMAPT
SCHEMBL20129614 0.77 TP53 (0.50) HDAC1HDAC6GPR119TP53CYP46A1
SCHEMBL1049753 0.76 HDAC1 (0.50) HDAC1HDAC6GPR119TP53CYP46A1
SCHEMBL6123232 0.75 TP53 (0.47) HDAC1HDAC6TP53ALDH1A1

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 ROCK2 4741/4885HDAC1 94/4885HDAC6 803/4885
US-20020055631-A1 N-acylsulfonamide apoptosis promoters BAX, BCLAF1, BCL2 ROCK2 4675/4885HDAC1 78/4885HDAC6 578/4885
US-20040192681-A1 N-acylsulfonamide apoptosis promoters BAX, BCLAF1, BCL2 ROCK2 4741/4885HDAC1 94/4885HDAC6 803/4885
US-20090137585-A1 N-ACYLSULFONAMIDE APOPTOSIS PROMOTERS BAX, BCL2, BCOR ROCK2 4598/4885HDAC1 104/4885HDAC6 334/4885

“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.