SCHEMBL1123094

SCHEMBL1123094

CCCCc1ccc(COc2ccc(C(=O)OC)cc2)cc1

nearest known ligand 0.71

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 5/20 0.70
RAB9A P51151 5/20 0.70
MAPT P10636 5/20 0.70
SMN1; SMN2 Q16637 4/20 0.70
MEN1 O00255 2/20 0.70
KMT2A Q03164 2/20 0.70
CYP4A11 Q02928 2/20 0.59
CYP4F2 P78329 1/20 0.57
MDH1 P40925 2/20 0.57
RXRA P19793 1/20 0.56
RXRB P28702 1/20 0.56
LMNA P02545 2/20 0.55
HRH3 Q9Y5N1 1/20 0.54
POLB P06746 1/20 0.52
ALDH1A1 P00352 2/20 0.52
HTT P42858 1/20 0.52
KDM4E B2RXH2 1/20 0.52
PLK1 P53350 1/20 0.51

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
SCHEMBL9369169 0.91 RAB9A (0.74) NPC1RAB9AMAPTSMN1; SMN2MEN1
SCHEMBL11350421 0.88 RAB9A (0.82) NPC1RAB9AMAPTSMN1; SMN2MEN1
SCHEMBL10236929 0.88 RAB9A (0.82) NPC1RAB9AMAPTSMN1; SMN2MEN1
SCHEMBL1792416 0.88 CYP4A11 (0.74) NPC1RAB9AMAPTSMN1; SMN2CYP4A11
SCHEMBL21656841 0.87 CYP4A11 (0.64) NPC1RAB9AMAPTSMN1; SMN2MEN1
SCHEMBL12086470 0.86 RAB9A (0.80) NPC1RAB9AMAPTSMN1; SMN2MEN1
SCHEMBL7424382 0.86 MAPT (0.64) NPC1RAB9AMAPTSMN1; SMN2MEN1
SCHEMBL1123143 0.85 RXRA (0.72) NPC1RAB9ASMN1; SMN2RXRARXRB
SCHEMBL7738901 0.85 MAOB (0.68) NPC1RAB9AMAPTSMN1; SMN2RXRA
SCHEMBL7776764 0.85 RAB9A (0.65) NPC1RAB9AMAPTSMN1; SMN2MEN1

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 13 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1644321-B1 NEW BENZAMIDES AS PPATY MODULATORS S A L V A T LAB SA (ES) 2011-02-09 EP disclosed
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
US-20060160894-A1 Benzamides as ppar modulators LABORATORIOS S.A.L.V.A.T.,S.A. (ES) 2006-07-20 US disclosed
EP-1644321-A2 NEW BENZAMIDES AS PPATY MODULATORS LABORATORIOS S.A.L.V.A.T., S.A. (ES) 2006-04-12 EP disclosed
EP-1318978-B1 N-ACYLSULFONAMIDE APOPTOSIS PROMOTERS ABBOTT LAB (US) 2006-02-08 EP disclosed
WO-2004110983-A2 NEW BENZAMIDES AS PPARϒ MODULATORS LABORATORIOS S.A.L.V.A.T., S.A. (ES) 2004-12-23 WO 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 4211/4885MAPT 4851/4885
US-20020055631-A1 N-acylsulfonamide apoptosis promoters BAX, BCLAF1, BCL2 NPC1 2435/4885RAB9A 3769/4885MAPT 4830/4885
US-20060160894-A1 Benzamides as ppar modulators PPARD, PPARA, PPARG NPC1 3147/4885RAB9A 4567/4885MAPT 4365/4885
US-20090137585-A1 N-ACYLSULFONAMIDE APOPTOSIS PROMOTERS BAX, BCL2, BCOR NPC1 3122/4885RAB9A 3753/4885MAPT 4806/4885

“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.