SCHEMBL2952031

SCHEMBL2952031

COC(=O)c1ccc(-c2ccc(CO)cc2OC)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 2/20 0.51
CYP4A11 Q02928 2/20 0.49
LOXL2 Q9Y4K0 1/20 0.49
MAPT P10636 5/20 0.48
CYP4F2 P78329 1/20 0.48
SMN1; SMN2 Q16637 2/20 0.47
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
ADRB1 P08588 2/20 0.47
ADRB3 P13945 2/20 0.47
KMT2A Q03164 1/20 0.47
ERN1 O75460 1/20 0.46
CA1 P00915 2/20 0.45
CA2 P00918 2/20 0.45
CA12 O43570 1/20 0.45
CA9 Q16790 1/20 0.45
CA14 Q9ULX7 1/20 0.45
KDM4E B2RXH2 1/20 0.44

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
SCHEMBL2951330 0.89 EGFR (0.52) EGFRCYP4A11LOXL2MAPTCYP4F2
SCHEMBL2951136 0.89 EGFR (0.49) EGFRCYP4A11LOXL2MAPTCYP4F2
SCHEMBL2947405 0.89 CYP4A11 (0.55) EGFRCYP4A11LOXL2MAPTCYP4F2
SCHEMBL2942398 0.87 ERN1 (0.49) EGFRCYP4A11LOXL2MAPTCYP4F2
SCHEMBL2945133 0.86 EGFR (0.50) EGFRCYP4A11LOXL2MAPTCYP4F2
SCHEMBL2951677 0.86 CYP4A11 (0.67) EGFRCYP4A11LOXL2MAPTCYP4F2
SCHEMBL31238859 0.86 MAPT (0.58) EGFRMAPTSMN1; SMN2CYP1A2CYP2C9
SCHEMBL2951274 0.85 ADRB1 (0.50) EGFRCYP4A11MAPTCYP4F2ADRB1
SCHEMBL2949625 0.84 BCL2L1 (0.46) EGFRCYP4A11LOXL2MAPTCYP4F2
SCHEMBL2943978 0.84 CYP4A11 (0.52) EGFRCYP4A11LOXL2MAPTCYP4F2

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 3912/4885CYP4A11 2635/4885LOXL2 2286/4885
US-20020055631-A1 N-acylsulfonamide apoptosis promoters BAX, BCLAF1, BCL2 EGFR 3875/4885CYP4A11 2924/4885LOXL2 1953/4885
US-20040192681-A1 N-acylsulfonamide apoptosis promoters BAX, BCLAF1, BCL2 EGFR 3912/4885CYP4A11 2635/4885LOXL2 2286/4885
US-20090137585-A1 N-ACYLSULFONAMIDE APOPTOSIS PROMOTERS BAX, BCL2, BCOR EGFR 3477/4885CYP4A11 3158/4885LOXL2 1497/4885

“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.