SCHEMBL2951944

SCHEMBL2951944

COc1cc(C=O)ccc1OC(=O)C(F)(F)F

nearest known ligand 0.62

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.62
TSHR P16473 1/20 0.62
KDM4E B2RXH2 1/20 0.57
MAPT P10636 1/20 0.57
FDPS P14324 1/20 0.54
AOX1 Q06278 1/20 0.53
TRIM24 O15164 1/20 0.53
HPGD P15428 1/20 0.53
ALDH5A1 P51649 1/20 0.53
ABAT P80404 1/20 0.53
TDP1 Q9NUW8 1/20 0.53
TRIM33 Q9UPN9 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.51
POLB P06746 1/20 0.51
TTR P02766 1/20 0.50
JUN P05412 1/20 0.48
NFKB1 P19838 1/20 0.48

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
SCHEMBL22021776 0.86 ALDH1A1 (0.64) ALDH1A1TSHRKDM4EMAPTFDPS
SCHEMBL11005310 0.82 ALDH1A1 (0.72) ALDH1A1TSHRKDM4EMAPTFDPS
SCHEMBL15772745 0.82 ALDH1A1 (0.72) ALDH1A1TSHRKDM4EMAPTFDPS
SCHEMBL29738486 0.81 ALDH1A1 (0.70) ALDH1A1TSHRKDM4EMAPTFDPS
SCHEMBL6552898 0.81 ALDH1A1 (0.70) ALDH1A1TSHRKDM4EMAPTFDPS
SCHEMBL81717 0.81 ALDH1A1 (0.70) ALDH1A1TSHRKDM4EMAPTFDPS
SCHEMBL7712583 0.80 ALDH1A1 (0.64) ALDH1A1TSHRKDM4EMAPTFDPS
SCHEMBL20394101 0.80 ALDH1A1 (0.68) ALDH1A1TSHRKDM4EMAPTFDPS
SCHEMBL4643357 0.80 ALDH1A1 (0.68) ALDH1A1TSHRKDM4EMAPTFDPS
SCHEMBL11001189 0.80 ALDH1A1 (0.68) ALDH1A1TSHRKDM4EMAPTFDPS

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 ALDH1A1 2651/4885TSHR 4377/4885KDM4E 1911/4885
US-20020055631-A1 N-acylsulfonamide apoptosis promoters BAX, BCLAF1, BCL2 ALDH1A1 2460/4885TSHR 4350/4885KDM4E 1563/4885
US-20040192681-A1 N-acylsulfonamide apoptosis promoters BAX, BCLAF1, BCL2 ALDH1A1 2651/4885TSHR 4377/4885KDM4E 1911/4885
US-20090137585-A1 N-ACYLSULFONAMIDE APOPTOSIS PROMOTERS BAX, BCL2, BCOR ALDH1A1 3404/4885TSHR 4129/4885KDM4E 1143/4885

“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.