SCHEMBL2950945

SCHEMBL2950945

O=C(O)N[C@@H](CSc1ccccc1)CN1CCOCC1

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
FKBP1A P62942 1/20 0.50
HSD17B10 Q99714 1/20 0.50
RAB9A P51151 5/20 0.48
SMN1; SMN2 Q16637 4/20 0.48
NPC1 O15118 3/20 0.48
USP2 O75604 1/20 0.48
ALDH1A1 P00352 6/20 0.47
LMNA P02545 5/20 0.47
MAPT P10636 3/20 0.47
HTT P42858 2/20 0.47
ATM Q13315 1/20 0.47
HIF1A Q16665 1/20 0.47
MAPK1 P28482 2/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
GALR3 O60755 1/20 0.43
MTNR1A P48039 1/20 0.43
MTNR1B P49286 1/20 0.43

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
SCHEMBL21523433 0.87 HSD17B10 (0.54) FKBP1AHSD17B10RAB9ASMN1; SMN2NPC1
SCHEMBL21523434 0.87 HSD17B10 (0.54) FKBP1AHSD17B10RAB9ASMN1; SMN2NPC1
SCHEMBL2947480 0.86 GAA (0.46) RAB9ASMN1; SMN2NPC1ALDH1A1MAPT
SCHEMBL25423553 0.83 HSD17B10 (0.53) FKBP1AHSD17B10RAB9ASMN1; SMN2NPC1
SCHEMBL25423552 0.83 HSD17B10 (0.53) FKBP1AHSD17B10RAB9ASMN1; SMN2NPC1
SCHEMBL554903 0.82 FKBP1A (0.61) FKBP1ARAB9ASMN1; SMN2NPC1USP2
SCHEMBL3859663 0.82 FKBP1A (0.61) FKBP1ARAB9ASMN1; SMN2NPC1USP2
SCHEMBL20568365 0.75 ALDH1A1 (0.49) HSD17B10RAB9ASMN1; SMN2NPC1USP2
SCHEMBL22229267 0.75 GPR88 (0.53) RAB9ASMN1; SMN2ALDH1A1LMNAMAPT
SCHEMBL4148021 0.75 GPR88 (0.53) RAB9ASMN1; SMN2ALDH1A1LMNAMAPT

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 7 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-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 FKBP1A 482/4885HSD17B10 923/4885RAB9A 4211/4885
US-20020055631-A1 N-acylsulfonamide apoptosis promoters BAX, BCLAF1, BCL2 FKBP1A 504/4885HSD17B10 696/4885RAB9A 3769/4885
US-20040192681-A1 N-acylsulfonamide apoptosis promoters BAX, BCLAF1, BCL2 FKBP1A 482/4885HSD17B10 923/4885RAB9A 4211/4885
US-20090137585-A1 N-ACYLSULFONAMIDE APOPTOSIS PROMOTERS BAX, BCL2, BCOR FKBP1A 603/4885HSD17B10 990/4885RAB9A 3753/4885

“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.