SCHEMBL2951287

SCHEMBL2951287

OC(CSc1ccccc1)C1CCCCC1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.53
RAB9A P51151 2/20 0.53
KMT2A Q03164 1/20 0.53
HPGD P15428 1/20 0.44
TSHR P16473 1/20 0.44
ALDH1A1 P00352 1/20 0.43
MAOA P21397 1/20 0.42
MAOB P27338 1/20 0.42
TP53 P04637 1/20 0.41
KDM4E B2RXH2 2/20 0.40
GMNN O75496 1/20 0.40
LMNA P02545 1/20 0.40
MAPT P10636 1/20 0.40
BLM P54132 1/20 0.40
PMP22 Q01453 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
MTNR1A P48039 3/20 0.38
MTNR1B P49286 3/20 0.38
IDO1 P14902 1/20 0.38
OPRM1 P35372 1/20 0.38

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
SCHEMBL20087750 0.83 SLC6A2 (0.46) MAPT
SCHEMBL20087747 0.83 SLC6A2 (0.46) MAPT
SCHEMBL2944706 0.79 MAOA (0.50) NPC1RAB9AKMT2AHPGDTSHR
SCHEMBL30648591 0.77 NPC1 (0.45) NPC1RAB9AKMT2AHPGDTSHR
SCHEMBL1044611 0.75 OPRL1 (0.49) OPRM1OPRK1
SCHEMBL25987767 0.75 MAOA (0.41) NPC1RAB9AKMT2AALDH1A1MAOA
SCHEMBL22461796 0.74 SLC6A2 (0.40)
SCHEMBL11591048 0.73 KMT2A (0.45) NPC1RAB9AKMT2AHPGDTSHR
SCHEMBL25518645 0.73 EPHX2 (0.46) TP53KDM4EGMNNLMNAMAPT
SCHEMBL22462005 0.72 CHRNB4 (0.48) NPC1RAB9AALDH1A1MAOAMAOB

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 NPC1 2540/4885RAB9A 4211/4885KMT2A 2902/4885
US-20020055631-A1 N-acylsulfonamide apoptosis promoters BAX, BCLAF1, BCL2 NPC1 2435/4885RAB9A 3769/4885KMT2A 2895/4885
US-20040192681-A1 N-acylsulfonamide apoptosis promoters BAX, BCLAF1, BCL2 NPC1 2540/4885RAB9A 4211/4885KMT2A 2902/4885
US-20090137585-A1 N-ACYLSULFONAMIDE APOPTOSIS PROMOTERS BAX, BCL2, BCOR NPC1 3122/4885RAB9A 3753/4885KMT2A 2456/4885

“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.