SCHEMBL2951665

SCHEMBL2951665

COC(=O)c1ccc(-c2ccc3sc(C=O)c(C)c3c2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ERN1 O75460 6/20 0.51
▸ CMA1 P23946 5/20 0.45
▸ ALDH1A1 P00352 2/20 0.44
▸ EGFR P00533 1/20 0.42
▸ KDM4E B2RXH2 1/20 0.41
▸ MEN1 O00255 1/20 0.41
▸ LMNA P02545 1/20 0.41
▸ GAA P10253 1/20 0.41
▸ MAPT P10636 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ TDP1 Q9NUW8 2/20 0.41
▸ CA12 O43570 1/20 0.40
▸ CA1 P00915 1/20 0.40
▸ CA2 P00918 1/20 0.40
▸ CA9 Q16790 1/20 0.40
▸ CA14 Q9ULX7 1/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ PFKFB3 Q16875 2/20 0.39
▸ PFKFB4 Q16877 2/20 0.39
▸ ALOX5 P09917 1/20 0.38

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
SCHEMBL2948556 0.89 CMA1 (0.44) ERN1CMA1ALDH1A1EGFRKDM4E
SCHEMBL2947143 0.85 ERN1 (0.46) ERN1ALDH1A1KDM4ELMNA
SCHEMBL2950050 0.81 CMA1 (0.46) ERN1CMA1ALDH1A1EGFRKDM4E
SCHEMBL2945363 0.79 CMA1 (0.44) ERN1CMA1ALDH1A1EGFRKDM4E
SCHEMBL2943724 0.75 ERN1 (0.59) ERN1ALDH1A1EGFRKDM4ECA12
SCHEMBL2258945 0.75 ALDH1A1 (0.44) ERN1CMA1ALDH1A1KDM4EMEN1
SCHEMBL2951760 0.74 RXRA (0.43) ERN1KDM4ELMNA
SCHEMBL10758276 0.73 MEN1 (0.48) ERN1ALDH1A1EGFRKDM4EMEN1
SCHEMBL2950386 0.73 CMA1 (0.52) CMA1ALDH1A1KDM4EMEN1GAA
SCHEMBL2949116 0.73 PIK3CA (0.46) CMA1ALDH1A1KDM4EMEN1MAPT

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 9 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
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 ERN1 787/4885CMA1 3144/4885ALDH1A1 2460/4885
US-20040192681-A1 N-acylsulfonamide apoptosis promoters BAX, BCLAF1, BCL2 ERN1 848/4885CMA1 2808/4885ALDH1A1 2651/4885
US-20090137585-A1 N-ACYLSULFONAMIDE APOPTOSIS PROMOTERS BAX, BCL2, BCOR ERN1 1718/4885CMA1 4006/4885ALDH1A1 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.

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