SCHEMBL7523923

SCHEMBL7523923

O=C(O)COc1cccc2c1Cc1sc(S(=O)(=O)CCCC(c3ccccc3)c3ccccc3)nc1-2

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 1/20 0.38
PTGIR P43119 15/20 0.36
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
HPGD P15428 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
MEN1 O00255 1/20 0.34
POLB P06746 1/20 0.34
KMT2A Q03164 1/20 0.34
TBXA2R P21731 1/20 0.34
PTGDR2 Q9Y5Y4 2/20 0.33

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 0.95 ADORA1 (0.39) ADORA1PTGIRKDM4EALDH1A1HPGD
SCHEMBL7524911 0.92 PTGIR (0.39) PTGIRKDM4EALDH1A1HPGDTDP1
SCHEMBL7521965 0.86 PTGIR (0.40) PTGIRKDM4EALDH1A1HPGDTDP1
SCHEMBL7522397 0.86 ADORA1 (0.38) ADORA1PTGIRKDM4EALDH1A1HPGD
SCHEMBL7523413 0.83 ADORA1 (0.39) ADORA1PTGIRKDM4EALDH1A1HPGD
SCHEMBL7525237 0.81 PTGIR (0.41) PTGIRKDM4EALDH1A1HPGDTDP1
SCHEMBL7521639 0.81 PTGIR (0.42) ADORA1PTGIRKDM4EALDH1A1HPGD
SCHEMBL7528912 0.80 KDM4E (0.37) PTGIRKDM4EALDH1A1HPGDTDP1
SCHEMBL7523600 0.79 ADORA1 (0.36) ADORA1PTGIRKDM4EALDH1A1HPGD
SCHEMBL7523592 0.79 ADORA1 (0.36) ADORA1PTGIRKDM4EALDH1A1HPGD

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-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 210/4885PTGIR 11/4885KDM4E 4000/4885

“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.