SCHEMBL7531034

SCHEMBL7531034

O=C(O)CCCOc1cccc2c1Cc1sc(S)nc1-2

nearest known ligand 0.43

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 1/20 0.43
FABP3 P05413 9/20 0.41
FABP4 P15090 6/20 0.41
S1PR5 Q9H228 6/20 0.39
FFAR4 Q5NUL3 4/20 0.39
SNCA P37840 1/20 0.37

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
SCHEMBL8320734 0.94 ADORA1 (0.44) ADORA1FABP3FABP4S1PR5
SCHEMBL7521598 0.88 ADORA1 (0.45) ADORA1
SCHEMBL7518668 0.82 ADORA1 (0.41) ADORA1
SCHEMBL7526545 0.80 ADORA1 (0.38) ADORA1FABP3FABP4S1PR5FFAR4
SCHEMBL7528838 0.80 ADORA1 (0.39) ADORA1FABP3FABP4S1PR5FFAR4
SCHEMBL7526025 0.78 KDM4E (0.42) ADORA1
SCHEMBL7974210 0.76 ADORA1 (0.41) ADORA1FABP4
SCHEMBL7518636 0.74 ALDH1A1 (0.41) ADORA1
SCHEMBL7520497 0.74 ADORA1 (0.40) ADORA1FABP3FABP4S1PR5
SCHEMBL7522397 0.72 ADORA1 (0.38) ADORA1FABP3FABP4

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 210/4885FABP3 2512/4885FABP4 3301/4885

“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.