SCHEMBL2950163

SCHEMBL2950163

O=C(O)C[C@H](CO)NC(=O)OCC1c2ccccc2-c2ccccc21

nearest known ligand 0.59

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CASP3 P42574 4/20 0.59
KMT2A Q03164 2/20 0.53
MDM4 O15151 1/20 0.48
TP53 P04637 1/20 0.48
EPHX2 P34913 1/20 0.48
FABP7 O15540 1/20 0.44
FABP5 Q01469 1/20 0.44
MDM2 Q00987 1/20 0.43

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
SCHEMBL15569571 1.00 CASP3 (0.59) CASP3KMT2AMDM4TP53EPHX2
SCHEMBL7163906 1.00 CASP3 (0.59) CASP3KMT2AMDM4TP53EPHX2
SCHEMBL31470993 0.93 CASP3 (0.63) CASP3KMT2AMDM4TP53EPHX2
SCHEMBL30604630 0.93 CASP3 (0.63) CASP3KMT2AMDM4TP53EPHX2
SCHEMBL120580 0.93 CASP3 (0.63) CASP3KMT2AMDM4TP53EPHX2
SCHEMBL29400883 0.91 KMT2A (0.57) CASP3KMT2AMDM4TP53EPHX2
SCHEMBL6520211 0.91 KMT2A (0.57) CASP3KMT2AMDM4TP53EPHX2
SCHEMBL12787768 0.89 CASP3 (0.53) CASP3KMT2AMDM4TP53EPHX2
SCHEMBL15883257 0.89 CASP3 (0.53) CASP3KMT2AMDM4TP53EPHX2
SCHEMBL30645104 0.89 CASP3 (0.58) CASP3KMT2AMDM4TP53EPHX2

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
EP-1318978-A2 N-ACYLSULFONAMIDE APOPTOSIS PROMOTERS Abbott Laboratories (US) 2003-06-18 EP 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 (3 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-20020055631-A1 N-acylsulfonamide apoptosis promoters BAX, BCLAF1, BCL2 CASP3 24/4885KMT2A 2895/4885MDM4 4118/4885
US-20040192681-A1 N-acylsulfonamide apoptosis promoters BAX, BCLAF1, BCL2 CASP3 27/4885KMT2A 2902/4885MDM4 4254/4885
US-20090137585-A1 N-ACYLSULFONAMIDE APOPTOSIS PROMOTERS BAX, BCL2, BCOR CASP3 23/4885KMT2A 2456/4885MDM4 3903/4885

“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.