SCHEMBL2949555

SCHEMBL2949555

COc1cc(C(C)N(C)CC(=O)N(C)C)ccc1-c1ccc(C(=O)O)cc1

nearest known ligand 0.45

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 6/20 0.45
AKR1C2 P52895 6/20 0.45
SRD5A2 P31213 6/20 0.43
ADRB1 P08588 2/20 0.41
ADRB3 P13945 2/20 0.41
EGFR P00533 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
SCHEMBL2942086 0.90 AKR1C3 (0.42) AKR1C3AKR1C2ADRB1ADRB3EGFR
SCHEMBL2943477 0.77 ADRB1 (0.45) ADRB1ADRB3EGFR
SCHEMBL2949557 0.76 ADRB1 (0.48) ADRB1ADRB3EGFR
SCHEMBL7676021 0.75 ACHE (0.48) ADRB1ADRB3EGFR
SCHEMBL2949356 0.74 ADRB1 (0.51) SRD5A2ADRB1ADRB3EGFR
SCHEMBL25125397 0.70 CA1 (0.58) EGFR
SCHEMBL29788231 0.69 SRD5A2 (0.59) AKR1C3AKR1C2SRD5A2ADRB1ADRB3
SCHEMBL29788333 0.69 CCNT1 (0.55) EGFR
SCHEMBL2039640 0.69 CCNT1 (0.55) EGFR
SCHEMBL2039483 0.69 SRD5A2 (0.59) AKR1C3AKR1C2SRD5A2ADRB1ADRB3

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 6 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
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-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 (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 AKR1C3 3197/4885AKR1C2 2588/4885SRD5A2 2279/4885
US-20040192681-A1 N-acylsulfonamide apoptosis promoters BAX, BCLAF1, BCL2 AKR1C3 3200/4885AKR1C2 2650/4885SRD5A2 2301/4885
US-20090137585-A1 N-ACYLSULFONAMIDE APOPTOSIS PROMOTERS BAX, BCL2, BCOR AKR1C3 3606/4885AKR1C2 3015/4885SRD5A2 2695/4885

“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.