SCHEMBL2949116

SCHEMBL2949116

COC(=O)c1ccc(-c2ccc3sc(N4CCOCC4)c(C)c3c2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PIK3CA P42336 2/20 0.46
▸ PIK3CG P48736 2/20 0.46
▸ PIK3CD O00329 1/20 0.46
▸ PIK3R2 O00459 1/20 0.46
▸ BRD4 O60885 1/20 0.46
▸ PIK3CB P42338 1/20 0.46
▸ ALDH1A1 P00352 4/20 0.45
▸ HPGD P15428 1/20 0.45
▸ ALOX15 P16050 1/20 0.45
▸ MGLL Q99685 1/20 0.45
▸ HSD17B10 Q99714 1/20 0.45
▸ MTOR P42345 1/20 0.45
▸ KMT2A Q03164 4/20 0.43
▸ MEN1 O00255 3/20 0.43
▸ TSHR P16473 1/20 0.43
▸ NPSR1 Q6W5P4 1/20 0.43
▸ PRKDC P78527 2/20 0.42
▸ NPC1 O15118 2/20 0.42
▸ RAB9A P51151 2/20 0.42
▸ SMN1; SMN2 Q16637 2/20 0.42

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
SCHEMBL2943599 0.88 HSD17B10 (0.44) PIK3CAPIK3CGPIK3CDBRD4PIK3CB
SCHEMBL2950050 0.74 CMA1 (0.46) ALDH1A1HPGDALOX15HSD17B10KMT2A
SCHEMBL2951665 0.73 ERN1 (0.51) ALDH1A1KMT2AMEN1KDM4ECMA1
SCHEMBL2949981 0.72 RAB9A (0.48) PIK3CAPIK3CDPIK3CBKMT2AMEN1
SCHEMBL2945363 0.72 CMA1 (0.44) ALDH1A1KMT2AMEN1KDM4ECMA1
SCHEMBL2948556 0.72 CMA1 (0.44) ALDH1A1KMT2AMEN1KDM4ECMA1
SCHEMBL1063179 0.71 ALDH1A1 (0.67) PIK3CAPIK3CGALDH1A1HPGDALOX15
SCHEMBL2773168 0.70 KMT2A (0.57) ALDH1A1HPGDALOX15MGLLHSD17B10
SCHEMBL24236060 0.70 MTOR (0.67) PIK3CAPIK3CGALDH1A1HPGDHSD17B10
SCHEMBL16345754 0.69 GAK (0.67) —

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 PIK3CA 3954/4885PIK3CG 4221/4885PIK3CD 3805/4885
US-20020055631-A1 N-acylsulfonamide apoptosis promoters BAX, BCLAF1, BCL2 PIK3CA 3688/4885PIK3CG 3985/4885PIK3CD 3584/4885
US-20040192681-A1 N-acylsulfonamide apoptosis promoters BAX, BCLAF1, BCL2 PIK3CA 3954/4885PIK3CG 4221/4885PIK3CD 3805/4885
US-20090137585-A1 N-ACYLSULFONAMIDE APOPTOSIS PROMOTERS BAX, BCL2, BCOR PIK3CA 3493/4885PIK3CG 3750/4885PIK3CD 3373/4885

“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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