SCHEMBL2950077

SCHEMBL2950077

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

nearest known ligand 0.56

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ CMA1 P23946 10/20 0.56
▸ PFKFB3 Q16875 9/20 0.49
▸ PFKFB4 Q16877 9/20 0.49
▸ CA12 O43570 1/20 0.39
▸ CA1 P00915 1/20 0.39
▸ CA2 P00918 1/20 0.39
▸ CA9 Q16790 1/20 0.39
▸ CA14 Q9ULX7 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
SCHEMBL2952553 0.84 CMA1 (0.48) CMA1PFKFB3PFKFB4
SCHEMBL2950386 0.80 CMA1 (0.52) CMA1PFKFB3PFKFB4CA12CA1
SCHEMBL14338971 0.79 NPSR1 (0.50) CMA1PFKFB3PFKFB4
SCHEMBL2953838 0.77 NPSR1 (0.60) CMA1PFKFB3PFKFB4
SCHEMBL2950569 0.75 PFKFB3 (0.42) CMA1PFKFB3PFKFB4
SCHEMBL2950050 0.73 CMA1 (0.46) CMA1PFKFB3PFKFB4CA12CA1
SCHEMBL2951665 0.72 ERN1 (0.51) CMA1PFKFB3PFKFB4CA12CA1
SCHEMBL2945363 0.71 CMA1 (0.44) CMA1PFKFB3PFKFB4CA12CA1
SCHEMBL2948556 0.71 CMA1 (0.44) CMA1PFKFB3PFKFB4CA12CA1
SCHEMBL3876651 0.69 PFKFB4 (0.72) CMA1PFKFB3PFKFB4

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 6 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
EP-1318978-B1 N-ACYLSULFONAMIDE APOPTOSIS PROMOTERS ABBOTT LAB (US) 2006-02-08 — — EP 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 (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-20020086887-A1 N-Acylsulfonamide apoptosis promoters BAX, BCLAF1, BCL2 CMA1 2808/4885PFKFB3 4363/4885PFKFB4 4119/4885
US-20020055631-A1 N-acylsulfonamide apoptosis promoters BAX, BCLAF1, BCL2 CMA1 3144/4885PFKFB3 4313/4885PFKFB4 4102/4885
US-20090137585-A1 N-ACYLSULFONAMIDE APOPTOSIS PROMOTERS BAX, BCL2, BCOR CMA1 4006/4885PFKFB3 3978/4885PFKFB4 3714/4885

“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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