SCHEMBL2950050

SCHEMBL2950050

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

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CMA1 P23946 5/20 0.46
▸ EGFR P00533 1/20 0.43
▸ ERN1 O75460 1/20 0.43
▸ LMNA P02545 2/20 0.43
▸ MAPK1 P28482 1/20 0.43
▸ TDP1 Q9NUW8 2/20 0.42
▸ L3MBTL1 Q9Y468 2/20 0.42
▸ KDM4E B2RXH2 2/20 0.42
▸ MEN1 O00255 2/20 0.42
▸ ALDH1A1 P00352 2/20 0.42
▸ GAA P10253 2/20 0.42
▸ MAPT P10636 2/20 0.42
▸ KMT2A Q03164 2/20 0.42
▸ CA1 P00915 3/20 0.41
▸ CA2 P00918 3/20 0.41
▸ CA12 O43570 2/20 0.41
▸ CA9 Q16790 2/20 0.41
▸ CA14 Q9ULX7 2/20 0.41
▸ CA7 P43166 1/20 0.41
▸ PFKFB3 Q16875 2/20 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
SCHEMBL2951733 0.85 RXRA (0.45) EGFRLMNAKDM4EHSD17B10
SCHEMBL2951665 0.81 ERN1 (0.51) CMA1EGFRERN1LMNATDP1
SCHEMBL2948556 0.80 CMA1 (0.44) CMA1EGFRERN1LMNATDP1
SCHEMBL2945363 0.80 CMA1 (0.44) CMA1EGFRERN1LMNAMAPK1
SCHEMBL9756981 0.75 MAPK1 (0.53) LMNAMAPK1TDP1L3MBTL1KDM4E
SCHEMBL2949116 0.74 PIK3CA (0.46) CMA1KDM4EMEN1ALDH1A1MAPT
SCHEMBL2950386 0.74 CMA1 (0.52) CMA1TDP1L3MBTL1KDM4EMEN1
SCHEMBL2943649 0.74 ERN1 (0.46) EGFRERN1LMNATDP1KDM4E
SCHEMBL2950077 0.73 CMA1 (0.56) CMA1CA1CA2CA12CA9
SCHEMBL17149269 0.73 LMNA (0.50) CMA1LMNAMAPK1TDP1L3MBTL1

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 10 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-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
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 (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 CMA1 2808/4885EGFR 3912/4885ERN1 848/4885
US-20020055631-A1 N-acylsulfonamide apoptosis promoters BAX, BCLAF1, BCL2 CMA1 3144/4885EGFR 3875/4885ERN1 787/4885
US-20040192681-A1 N-acylsulfonamide apoptosis promoters BAX, BCLAF1, BCL2 CMA1 2808/4885EGFR 3912/4885ERN1 848/4885
US-20090137585-A1 N-ACYLSULFONAMIDE APOPTOSIS PROMOTERS BAX, BCL2, BCOR CMA1 4006/4885EGFR 3477/4885ERN1 1718/4885

“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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