SCHEMBL7522397

SCHEMBL7522397

O=C(O)CCOc1cccc2c1Cc1sc(S(=O)(=O)CCC(c3ccccc3)c3ccccc3)nc1-2

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 1/20 0.38
LMNA P02545 3/20 0.34
FABP3 P05413 4/20 0.32
FABP4 P15090 4/20 0.32
HPGD P15428 2/20 0.31
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
MAPT P10636 1/20 0.31
HTT P42858 1/20 0.31
SRD5A1 P18405 2/20 0.30
SRD5A2 P31213 1/20 0.30
PTGIR P43119 1/20 0.30
KMT2A Q03164 2/20 0.30
NPSR1 Q6W5P4 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
SCHEMBL7529067 0.92 ADORA1 (0.39) ADORA1HPGDKDM4EALDH1A1PTGIR
SCHEMBL7523923 0.86 ADORA1 (0.38) ADORA1HPGDKDM4EALDH1A1PTGIR
SCHEMBL7521965 0.84 PTGIR (0.40) HPGDKDM4EALDH1A1PTGIRKMT2A
SCHEMBL7520497 0.82 ADORA1 (0.40) ADORA1LMNAFABP3FABP4HPGD
SCHEMBL7524911 0.79 PTGIR (0.39) HPGDKDM4EALDH1A1PTGIRKMT2A
SCHEMBL7528838 0.78 ADORA1 (0.39) ADORA1FABP3FABP4HPGDALDH1A1
SCHEMBL8320734 0.77 ADORA1 (0.44) ADORA1LMNAFABP3FABP4HPGD
SCHEMBL7528912 0.77 KDM4E (0.37) LMNAHPGDKDM4EALDH1A1MAPT
SCHEMBL7529216 0.75 MAPT (0.42) ADORA1LMNAHPGDKDM4EALDH1A1
SCHEMBL7526545 0.75 ADORA1 (0.38) ADORA1FABP3FABP4HPGDALDH1A1

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-6417213-B2 ANTICOAGULANTS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2002-07-09 US disclosed
US-20020006944-A1 Tricyclic compounds, their production and use OHKAWA SHIGENORI (JP) 2002-01-17 US disclosed
US-6248766-B1 CARDIOVASCULAR DISORDERS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2001-06-19 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-20020006944-A1 Tricyclic compounds, their production and use CNR1, PTGER1, PTGDR ADORA1 210/4885LMNA 2418/4885FABP3 2512/4885

“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.