SCHEMBL3354900

SCHEMBL3354900

CCCN(CCC)C(=O)c1cc(C(=O)O)c(C)c(-c2ccc(S(=O)(=O)N(C)C)cc2)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.41
CA12 O43570 1/20 0.41
CA2 P00918 1/20 0.41
RAB9A P51151 1/20 0.41
CA9 Q16790 1/20 0.41
SLC22A6 Q4U2R8 1/20 0.41
SLC22A8 Q8TCC7 1/20 0.41
ABCC2 Q92887 1/20 0.41
SLC22A12 Q96S37 1/20 0.41
UGT1A7 Q9HAW7 1/20 0.41
SLC22A11 Q9NSA0 1/20 0.41
LTB4R2 Q9NPC1 1/20 0.38
LMNA P02545 3/20 0.38
KDM4E B2RXH2 2/20 0.38
HTT P42858 1/20 0.38
CHRNA7 P36544 1/20 0.37
IKBKB O14920 1/20 0.37
CHUK O15111 1/20 0.37
LPAR1 Q92633 1/20 0.37
ALOX5 P09917 3/20 0.36

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
SCHEMBL6139420 0.81 SMN1; SMN2 (0.49) SMN1; SMN2CA12CA2RAB9ACA9
SCHEMBL3354904 0.76 CA12 (0.41) SMN1; SMN2CA12CA2RAB9ACA9
SCHEMBL6139649 0.73 MEN1 (0.45) SMN1; SMN2CA12CA2CA9LMNA
SCHEMBL3350813 0.71 HPGD (0.43) SMN1; SMN2LTB4R2LPAR1GABRA1GABRB2
SCHEMBL15606208 0.68 SMN1; SMN2 (0.50) SMN1; SMN2LTB4R2LMNAIKBKBCHUK
SCHEMBL18767254 0.68 HPGD (0.51) SMN1; SMN2LMNAHTTGABRA1GABRB2
SCHEMBL3224878 0.66 AKR1B1 (0.48) SMN1; SMN2KMT2AALDH1A1MAPT
SCHEMBL31042786 0.66 CA9 (0.71) SMN1; SMN2CA12CA2RAB9ACA9
SCHEMBL5156100 0.66 PDK2 (0.45) SMN1; SMN2LTB4R2MEN1KMT2AALDH1A1
SCHEMBL3642059 0.65 CA12 (0.59) SMN1; SMN2CA12CA2RAB9ACA9

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-7727997-B2 N,N′-substituted-1,3-diamino-2-hydroxypropane derivatives ELAN PHARMACEUTICALS, INC. (US) 2010-06-01 US disclosed
US-7498436-B2 Substituted hydroxyethylamines PHARMACIA & UPJOHN COMPANY LLC (US) 2009-03-03 US disclosed
US-20070213407-A1 Compounds to treat Alzheimer's disease ELAN PHARMACEUTICALS AND PHARMACIA & UPJOHN COMPANY LLC 2007-09-13 US disclosed
US-7214715-B2 Compounds to treat Alzheimer's disease PHARMACIA & UPJOHN (US) 2007-05-08 US disclosed
US-7176242-B2 N,N′-substituted-1,3-diamino-2-hydroxypropane derivatives ELAN PHARMACEUTICALS, INC. (US) 2007-02-13 US disclosed
US-20060106256-A1 Substituted hydroxyethylamines PHARMACIA & UPJOHN COMPANY 2006-05-18 US disclosed
US-20040171881-A1 N,N'-substituted-1,3-diamino-2-hydroxypropane derivatives PHARMACIA & UPJOHN COMPANY 2004-09-02 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 (3 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-20070213407-A1 Compounds to treat Alzheimer's disease PSEN2, PSEN1, CHAT SMN1; SMN2 539/4885CA12 1162/4885CA2 1969/4885
US-20040171881-A1 N,N'-substituted-1,3-diamino-2-hydroxypropane derivatives BACE1, BACE2, PSEN1 SMN1; SMN2 548/4885CA12 3954/4885CA2 3233/4885
US-20060106256-A1 Substituted hydroxyethylamines HNMT, PNMT, BCHE SMN1; SMN2 457/4885CA12 2360/4885CA2 3827/4885

“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.