SCHEMBL6809864

SCHEMBL6809864

[CH2]N(C1CCCCC1)S(=O)(=O)c1ccccc1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.65
MEN1 O00255 2/20 0.65
KMT2A Q03164 2/20 0.65
KDM4E B2RXH2 1/20 0.65
ESR1 P03372 1/20 0.51
NR1H3 Q13133 1/20 0.45
SIGMAR1 Q99720 1/20 0.44
HSD17B10 Q99714 2/20 0.44
TSHR P16473 1/20 0.44
MAPK1 P28482 1/20 0.44
USP2 O75604 1/20 0.44
HPGD P15428 1/20 0.44
HTR2A P28223 1/20 0.44
HTR2C P28335 1/20 0.44
BACE1 P56817 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
APOBEC3G Q9HC16 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
GAA P10253 2/20 0.42
L3MBTL1 Q9Y468 1/20 0.42

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
SCHEMBL8349997 0.81 ALDH1A1 (0.69) ALDH1A1MEN1KMT2AKDM4EESR1
SCHEMBL3286100 0.79 ALDH1A1 (0.65) ALDH1A1MEN1KMT2AKDM4EESR1
SCHEMBL9596419 0.79 ALDH1A1 (0.65) ALDH1A1MEN1KMT2AKDM4EESR1
SCHEMBL5531315 0.79 ALDH1A1 (0.65) ALDH1A1MEN1KMT2AKDM4EESR1
SCHEMBL27953450 0.79 ALDH1A1 (0.65) ALDH1A1MEN1KMT2AKDM4EESR1
SCHEMBL4159760 0.79 ALDH1A1 (1.00) ALDH1A1MEN1KMT2AKDM4EESR1
SCHEMBL3483273 0.78 MEN1 (0.64) ALDH1A1MEN1KMT2AKDM4EESR1
SCHEMBL27953447 0.76 ALDH1A1 (0.62) ALDH1A1MEN1KMT2AKDM4EESR1
SCHEMBL3482970 0.76 MEN1 (0.61) ALDH1A1MEN1KMT2AKDM4EESR1
SCHEMBL14628370 0.75 NPSR1 (0.72) ALDH1A1MEN1KMT2AKDM4EHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040132809-A1 Cell adhesion inhibitors BIOGEN, INC. 2004-07-08 US claimed

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-20040132809-A1 Cell adhesion inhibitors VCAM1, ICAM1, EPCAM ALDH1A1 631/4885MEN1 3126/4885KMT2A 2350/4885

“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.