SCHEMBL2945606

SCHEMBL2945606

Cc1nc2cc(-c3ccc(C(=O)O)cc3)ccc2s1

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.77
NPC1 O15118 4/20 0.77
SMN1; SMN2 Q16637 3/20 0.77
KDM4E B2RXH2 2/20 0.51
POLB P06746 2/20 0.51
GAA P10253 2/20 0.51
HTT P42858 2/20 0.51
HSD17B10 Q99714 2/20 0.50
TRPV1 Q8NER1 1/20 0.50
RXRA P19793 1/20 0.49
RXRB P28702 1/20 0.49
ALDH1A1 P00352 3/20 0.48
MAPT P10636 2/20 0.47
PKM P14618 2/20 0.47
HPGD P15428 2/20 0.47
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
ATM Q13315 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
TP53 P04637 1/20 0.46

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
SCHEMBL1105986 0.87 NPC1 (1.00) RAB9ANPC1SMN1; SMN2KDM4EPOLB
SCHEMBL6196778 0.83 NPC1 (0.56) RAB9ANPC1SMN1; SMN2POLBGAA
SCHEMBL2948700 0.82 NPC1 (0.52) RAB9ANPC1SMN1; SMN2KDM4EPOLB
SCHEMBL1849993 0.82 NPC1 (0.54) RAB9ANPC1SMN1; SMN2KDM4EPOLB
SCHEMBL12810173 0.82 SMN1; SMN2 (0.53) RAB9ANPC1SMN1; SMN2POLBGAA
SCHEMBL18856431 0.79 SMN1; SMN2 (0.50) RAB9ANPC1SMN1; SMN2POLBGAA
SCHEMBL13862697 0.79 TRPV1 (0.52) RAB9ANPC1SMN1; SMN2POLBGAA
SCHEMBL20481983 0.79 NPC1 (0.78) RAB9ANPC1SMN1; SMN2POLBHTT
SCHEMBL13394502 0.79 SMN1; SMN2 (0.59) RAB9ANPC1SMN1; SMN2KDM4EPOLB
SCHEMBL23114373 0.78 SMN1; SMN2 (0.59) RAB9ANPC1SMN1; SMN2KDM4EPOLB

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 RAB9A 4211/4885NPC1 2540/4885SMN1; SMN2 1440/4885
US-20020055631-A1 N-acylsulfonamide apoptosis promoters BAX, BCLAF1, BCL2 RAB9A 3769/4885NPC1 2435/4885SMN1; SMN2 1656/4885
US-20040192681-A1 N-acylsulfonamide apoptosis promoters BAX, BCLAF1, BCL2 RAB9A 4211/4885NPC1 2540/4885SMN1; SMN2 1440/4885
US-20090137585-A1 N-ACYLSULFONAMIDE APOPTOSIS PROMOTERS BAX, BCL2, BCOR RAB9A 3753/4885NPC1 3122/4885SMN1; SMN2 1713/4885

“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.