SCHEMBL2945133

SCHEMBL2945133

COCCc1ccc(-c2ccc(C(=O)OC)cc2)c(OC)c1

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
EGFR P00533 2/20 0.50
ADRB1 P08588 2/20 0.48
ADRB3 P13945 2/20 0.48
CYP4A11 Q02928 2/20 0.48
CYP4F2 P78329 1/20 0.47
MAPT P10636 3/20 0.45
ALDH1A1 P00352 1/20 0.45
LOXL2 Q9Y4K0 1/20 0.44
ROCK2 O75116 1/20 0.43
ROCK1 Q13464 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
GAA P10253 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
SCHEMBL2943978 0.92 CYP4A11 (0.52) EGFRADRB1ADRB3CYP4A11CYP4F2
SCHEMBL2947405 0.89 CYP4A11 (0.55) EGFRADRB1ADRB3CYP4A11CYP4F2
SCHEMBL2951677 0.87 CYP4A11 (0.67) EGFRADRB1ADRB3CYP4A11CYP4F2
SCHEMBL2951330 0.86 EGFR (0.52) EGFRADRB1ADRB3CYP4A11CYP4F2
SCHEMBL2952031 0.86 EGFR (0.51) EGFRADRB1ADRB3CYP4A11CYP4F2
SCHEMBL2951274 0.86 ADRB1 (0.50) EGFRADRB1ADRB3CYP4A11CYP4F2
SCHEMBL2951136 0.84 EGFR (0.49) EGFRADRB1ADRB3CYP4A11CYP4F2
SCHEMBL2952379 0.84 EGFR (0.46) EGFRADRB1ADRB3CYP4A11CYP4F2
SCHEMBL2942398 0.83 ERN1 (0.49) EGFRADRB1ADRB3CYP4A11CYP4F2
SCHEMBL2943626 0.83 CHEK1 (0.48) EGFRADRB1ADRB3CYP4A11CYP4F2

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 EGFR 3912/4885ADRB1 4520/4885ADRB3 4671/4885
US-20020055631-A1 N-acylsulfonamide apoptosis promoters BAX, BCLAF1, BCL2 EGFR 3875/4885ADRB1 4573/4885ADRB3 4640/4885
US-20040192681-A1 N-acylsulfonamide apoptosis promoters BAX, BCLAF1, BCL2 EGFR 3912/4885ADRB1 4520/4885ADRB3 4671/4885
US-20090137585-A1 N-ACYLSULFONAMIDE APOPTOSIS PROMOTERS BAX, BCL2, BCOR EGFR 3477/4885ADRB1 4702/4885ADRB3 4615/4885

“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.