SCHEMBL5569757

SCHEMBL5569757

Cc1ccc(S(=O)(=O)N(CCc2cccs2)CC(=O)OC(C)(C)C)cc1

nearest known ligand 0.72

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
NR1D1 P20393 1/20 0.57
CNR1 P21554 1/20 0.47
CNR2 P34972 1/20 0.47
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
ESR1 P03372 1/20 0.43
POLB P06746 1/20 0.43
MAPT P10636 1/20 0.43
CTDSP1 Q9GZU7 1/20 0.43

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
SCHEMBL7365613 0.84 CNR2 (0.52) CNR1CNR2MEN1KMT2A
SCHEMBL16558057 0.81 NR1D1 (0.58) NR1D1CNR2
SCHEMBL8027578 0.78 NR1D1 (0.55) NR1D1CNR2MEN1KMT2A
SCHEMBL6121704 0.75 CNR1 (0.73) CNR1CNR2MAPT
SCHEMBL19636449 0.74 TDP1 (0.53) CNR1CNR2MEN1KMT2AMAPT
SCHEMBL21315101 0.73 NR1D1 (0.56) NR1D1CNR1CNR2MEN1KMT2A
SCHEMBL5569686 0.73 MEN1 (0.51) MEN1KMT2AMAPT
SCHEMBL5569737 0.73 CA12 (0.50) CNR2MEN1KMT2A
SCHEMBL9321460 0.73 CNR2 (0.51) CNR1CNR2
SCHEMBL22208229 0.73 NR1D1 (0.58) NR1D1KMT2APOLBMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7166580-B2 Compounds which inhibit leukocyte adhesion mediated by VLA-4 ELAN PHARMACEUTICALS, INC. (US) 2007-01-23 US disclosed
US-20030166575-A1 Compounds which inhibit leukocyte adhesion mediated by VLA-4 BIOGEN MA INC. 2003-09-04 US disclosed
US-6559127-B1 Intercellular adhesion mediated by VLA-4 and other cell surface receptors is associated with a number of inflammatory responses ATHENA NEUROSCIENCES, INC. 2003-05-06 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-20030166575-A1 Compounds which inhibit leukocyte adhesion mediated by VLA-4 VCAM1, ICAM1, CD4 NR1D1 1544/4885CNR1 3392/4885CNR2 3406/4885

“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.