SCHEMBL2943727

SCHEMBL2943727

O=Cc1csc2ccc(-c3ccc(C(=O)O)cc3)cc12

nearest known ligand 0.55

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ ERN1 O75460 8/20 0.55
▸ CYP2A6 P11509 2/20 0.53
▸ TRIM24 O15164 1/20 0.48
▸ TRIM33 Q9UPN9 1/20 0.48
▸ KDM4E B2RXH2 2/20 0.40
▸ ALDH1A1 P00352 2/20 0.40
▸ LMNA P02545 1/20 0.40
▸ HSD17B10 Q99714 1/20 0.40
▸ RXRA P19793 2/20 0.39
▸ RXRB P28702 2/20 0.39
▸ BCL2L1 Q07817 1/20 0.39
▸ BAD Q92934 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
SCHEMBL20954434 0.88 CYP2A6 (0.58) ERN1CYP2A6KDM4EALDH1A1
SCHEMBL17912645 0.84 CYP2A6 (0.61) ERN1CYP2A6KDM4EALDH1A1
SCHEMBL2943724 0.83 ERN1 (0.59) ERN1CYP2A6KDM4EALDH1A1
SCHEMBL2951467 0.79 RXRA (0.49) CYP2A6KDM4EALDH1A1LMNAHSD17B10
SCHEMBL24735751 0.74 KDM4E (0.49) ERN1TRIM24TRIM33KDM4ELMNA
SCHEMBL2960090 0.73 CYP2A6 (0.53) ERN1CYP2A6KDM4EALDH1A1LMNA
SCHEMBL7332731 0.73 CYP2A6 (0.64) ERN1CYP2A6TRIM24TRIM33ALDH1A1
SCHEMBL5744610 0.72 CYP2A6 (0.55) CYP2A6KDM4ELMNAHSD17B10RXRA
SCHEMBL17912642 0.72 CYP2A6 (0.61) ERN1CYP2A6TRIM24TRIM33KDM4E
SCHEMBL2947143 0.71 ERN1 (0.46) ERN1TRIM24TRIM33KDM4EALDH1A1

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 ERN1 848/4885CYP2A6 1825/4885TRIM24 1856/4885
US-20020055631-A1 N-acylsulfonamide apoptosis promoters BAX, BCLAF1, BCL2 ERN1 787/4885CYP2A6 2122/4885TRIM24 2158/4885
US-20040192681-A1 N-acylsulfonamide apoptosis promoters BAX, BCLAF1, BCL2 ERN1 848/4885CYP2A6 1825/4885TRIM24 1856/4885
US-20090137585-A1 N-ACYLSULFONAMIDE APOPTOSIS PROMOTERS BAX, BCL2, BCOR ERN1 1718/4885CYP2A6 2122/4885TRIM24 2764/4885

“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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