SCHEMBL2951906

SCHEMBL2951906

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

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.51
EGFR P00533 2/20 0.47
ALDH1A1 P00352 2/20 0.45
ADRB1 P08588 2/20 0.44
ADRB3 P13945 2/20 0.44
MTNR1A P48039 2/20 0.42
MTNR1B P49286 2/20 0.42
CYP4A11 Q02928 2/20 0.42
ALOX5 P09917 1/20 0.41
OR51E2 Q9H255 1/20 0.41
CYP4F2 P78329 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
ACHE P22303 1/20 0.39
KMT2A Q03164 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39

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
SCHEMBL2950450 0.90 ADRB1 (0.49) MAPTEGFRADRB1ADRB3MTNR1A
SCHEMBL2951274 0.84 ADRB1 (0.50) MAPTEGFRALDH1A1ADRB1ADRB3
SCHEMBL2947405 0.83 CYP4A11 (0.55) MAPTEGFRALDH1A1ADRB1ADRB3
SCHEMBL2942308 0.83 PKM (0.44) MAPTEGFRSMN1; SMN2KMT2A
SCHEMBL12680354 0.83 CYP4A11 (0.55) MAPTALDH1A1CYP4A11CYP4F2CYP1A2
SCHEMBL2943626 0.81 CHEK1 (0.48) MAPTEGFRALDH1A1ADRB1ADRB3
SCHEMBL2945133 0.81 EGFR (0.50) MAPTEGFRALDH1A1ADRB1ADRB3
SCHEMBL2951677 0.81 CYP4A11 (0.67) MAPTEGFRALDH1A1ADRB1ADRB3
SCHEMBL2952031 0.80 EGFR (0.51) MAPTEGFRADRB1ADRB3CYP4A11
SCHEMBL2948966 0.79 CHRM3 (0.45) MAPTEGFRALDH1A1SMN1; SMN2

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 MAPT 4851/4885EGFR 3912/4885ALDH1A1 2651/4885
US-20020055631-A1 N-acylsulfonamide apoptosis promoters BAX, BCLAF1, BCL2 MAPT 4830/4885EGFR 3875/4885ALDH1A1 2460/4885
US-20040192681-A1 N-acylsulfonamide apoptosis promoters BAX, BCLAF1, BCL2 MAPT 4851/4885EGFR 3912/4885ALDH1A1 2651/4885
US-20090137585-A1 N-ACYLSULFONAMIDE APOPTOSIS PROMOTERS BAX, BCL2, BCOR MAPT 4806/4885EGFR 3477/4885ALDH1A1 3404/4885

“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.