SCHEMBL2944252

SCHEMBL2944252

CC(C)(C)OCC(CO)Sc1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.36
POLB P06746 1/20 0.36
KDM4E B2RXH2 3/20 0.34
ALDH1A1 P00352 2/20 0.34
TDP1 Q9NUW8 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.33
PKM P14618 1/20 0.33
L3MBTL1 Q9Y468 3/20 0.33
LMNA P02545 3/20 0.33
GAA P10253 1/20 0.31
CYP2D6 P10635 1/20 0.31
MAOA P21397 1/20 0.31
MAOB P27338 1/20 0.31
TRPA1 O75762 1/20 0.31
PAX8 Q06710 1/20 0.31

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
SCHEMBL2951282 0.80 MAPT (0.40) MAPK1KDM4EALDH1A1TDP1SMN1; SMN2
SCHEMBL1848023 0.77 ALDH1A1 (0.42) MAPK1KDM4EALDH1A1TDP1SMN1; SMN2
SCHEMBL2950981 0.71 BACE1 (0.45) MAPK1KDM4EALDH1A1TDP1CYP2D6
SCHEMBL10824975 0.70 TRPA1 (0.41) MAPK1KDM4EALDH1A1TDP1SMN1; SMN2
SCHEMBL13653527 0.68 MAOA (0.48) MAPK1ALDH1A1CYP2D6MAOAMAOB
SCHEMBL9052050 0.67 TRPA1 (0.42) MAPK1KDM4EALDH1A1SMN1; SMN2PKM
SCHEMBL2950886 0.67 CYP2D6 (0.46) MAPK1POLBKDM4EALDH1A1SMN1; SMN2
SCHEMBL19798395 0.67 RIPK1 (0.53) MAPK1KDM4EALDH1A1TDP1L3MBTL1
SCHEMBL6845929 0.66 ALDH1A1 (0.42) MAPK1KDM4EALDH1A1TDP1SMN1; SMN2
SCHEMBL3128715 0.66 MPO (0.42) MAPK1KDM4EALDH1A1SMN1; SMN2PKM

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 MAPK1 2657/4885POLB 1110/4885KDM4E 1911/4885
US-20020055631-A1 N-acylsulfonamide apoptosis promoters BAX, BCLAF1, BCL2 MAPK1 2730/4885POLB 859/4885KDM4E 1563/4885
US-20040192681-A1 N-acylsulfonamide apoptosis promoters BAX, BCLAF1, BCL2 MAPK1 2657/4885POLB 1110/4885KDM4E 1911/4885
US-20090137585-A1 N-ACYLSULFONAMIDE APOPTOSIS PROMOTERS BAX, BCL2, BCOR MAPK1 4010/4885POLB 605/4885KDM4E 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.