SCHEMBL4564268

SCHEMBL4564268

CC(=O)OOc1cccc2[nH]ccc12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC22A6 Q4U2R8 1/20 0.47
RHEB Q15382 4/20 0.45
HTR1A P08908 5/20 0.45
TUBB4A P04350 1/20 0.44
TUBB P07437 1/20 0.44
TUBA3C P0DPH7 1/20 0.44
TUBA1B P68363 1/20 0.44
TUBA4A P68366 1/20 0.44
TUBB4B P68371 1/20 0.44
TUBB3 Q13509 1/20 0.44
TUBB2A Q13885 1/20 0.44
TUBB8 Q3ZCM7 1/20 0.44
TUBA3E Q6PEY2 1/20 0.44
TUBA1A Q71U36 1/20 0.44
TUBA1C Q9BQE3 1/20 0.44
TUBB6 Q9BUF5 1/20 0.44
TUBB2B Q9BVA1 1/20 0.44
TUBB1 Q9H4B7 1/20 0.44
HTR1B P28222 2/20 0.43
TRPA1 O75762 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
SCHEMBL29511854 0.83 SLC22A6 (0.63) SLC22A6RHEBHTR1ATUBB4ATUBB
SCHEMBL594038 0.83 SLC22A6 (0.63) SLC22A6RHEBHTR1ATUBB4ATUBB
SCHEMBL26965656 0.78 RHEB (0.51) RHEBHTR1ATUBB4ATUBBTUBA3C
SCHEMBL8583050 0.76 SLC22A6 (0.46) SLC22A6RHEBHTR1ATUBB4ATUBB
SCHEMBL2312464 0.75 RHEB (0.49) SLC22A6RHEBHTR1ATUBB4ATUBB
SCHEMBL8801424 0.74 HTR1B (0.50) SLC22A6RHEBHTR1ATUBB4ATUBB
SCHEMBL3373828 0.74 HTR1A (0.48) SLC22A6HTR1AHTR1BCYP1A2CYP3A4
SCHEMBL9871925 0.73 RHEB (0.51) SLC22A6RHEBHTR1ATUBB4ATUBB
SCHEMBL321761 0.73 RHEB (0.54) RHEBHTR1ATUBB4ATUBBTUBA3C
SCHEMBL7809978 0.73 RHEB (0.54) RHEBHTR1AHTR1BTRPA1CYP1A2

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-7598397-B2 Sulfonamide peri-substituted bicyclics for occlusive artery disease DECODE GENETICS EHF (IS) 2009-10-06 US disclosed
US-20060079520-A1 Sulfonamide peri-substituted bicyclics for occlusive artery disease SAGA INVESTMENTS LLC 2006-04-13 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-20060079520-A1 Sulfonamide peri-substituted bicyclics for occlusive artery disease PTGIS, PTGIR, PTGS2 SLC22A6 583/4885RHEB 4081/4885HTR1A 2114/4885

“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.