SCHEMBL5451802

SCHEMBL5451802

CCc1nc2c(N(S(=O)(=O)CCCCl)S(=O)(=O)CCCCl)cc(C(=O)O)cc2n1CC

nearest known ligand 0.31

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.31
GAA P10253 3/20 0.31
KDM4E B2RXH2 2/20 0.31
THRB P10828 2/20 0.31
MEN1 O00255 2/20 0.31
MAPT P10636 2/20 0.31
ALDH1A1 P00352 1/20 0.31
HSP90AA1 P07900 1/20 0.31
HSP90AB1 P08238 1/20 0.31
PABPC1 P11940 1/20 0.31
HPGD P15428 1/20 0.31
CASP1 P29466 1/20 0.31
CASP7 P55210 1/20 0.31
HSD17B10 Q99714 1/20 0.31
SLC22A12 Q96S37 1/20 0.31
HTT P42858 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
RXFP1 Q9HBX9 1/20 0.30
ACSS2 Q9NR19 1/20 0.30
PTGER4 P35408 1/20 0.30

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
SCHEMBL5451799 0.69 NPC1 (0.33) KMT2AGAAMEN1MAPTALDH1A1
SCHEMBL24688431 0.61 KMT2A (0.61) KMT2AGAAKDM4ETHRBMEN1
SCHEMBL6248717 0.60 ALDH1A1 (0.42) KMT2AMEN1ALDH1A1
SCHEMBL21990439 0.55 PLA2G2A (0.58) ALDH1A1
SCHEMBL1424790 0.55 ALOX15 (0.48) KMT2AKDM4EMEN1MAPTALDH1A1
SCHEMBL20209144 0.55 ACSS2 (0.57) KMT2AGAAKDM4ETHRBMEN1
SCHEMBL1777030 0.55 AGTR1 (0.43)
SCHEMBL18662767 0.55 ACSS2 (0.61) KMT2AGAAKDM4ETHRBMEN1
Hydrochloric Acid SCHEMBL21460921 0.54 ACSS2 (0.56) KMT2AGAAKDM4ETHRBMEN1
Hydrochloric Acid SCHEMBL1425679 0.54 ALOX15 (0.46) KMT2AKDM4EMEN1MAPTALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7253198-B2 Hydroxyethylamine derivatives for the treatment of Alzheimer's disease GLAXO GROUP LIMITED (GB) 2007-08-07 US disclosed
US-20060025459-A1 Hydroxyethylamine derivatives for the treatment of alzheimer's disease GLAXO GROUP LIMITED (GB) 2006-02-02 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 (1 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-20060025459-A1 Hydroxyethylamine derivatives for the treatment of alzheimer's disease BACE2, PSEN2, BACE1 KMT2A 300/4885GAA 80/4885KDM4E 1129/4885

“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.