SCHEMBL3063588

SCHEMBL3063588

COC(=O)CCn1ccc2ccc(NS(=O)(=O)c3ccccc3C(F)(F)F)cc21

nearest known ligand 0.51

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ HTR6 P50406 5/20 0.51
▸ SLC22A12 Q96S37 11/20 0.47
▸ HIF1A Q16665 1/20 0.45
▸ BRD4 O60885 1/20 0.45
▸ PTGDR2 Q9Y5Y4 1/20 0.45
▸ AXL P30530 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
SCHEMBL3062553 0.89 HTR6 (0.51) HTR6SLC22A12BRD4PTGDR2
SCHEMBL13139525 0.85 SLC22A12 (0.47) HTR6SLC22A12HIF1ABRD4PTGDR2
SCHEMBL3053314 0.83 SLC22A12 (0.52) HTR6SLC22A12PTGDR2
SCHEMBL13178662 0.83 SLC22A12 (0.45) HTR6SLC22A12HIF1ABRD4PTGDR2
SCHEMBL3063587 0.82 SLC22A12 (0.48) HTR6SLC22A12HIF1ABRD4PTGDR2
SCHEMBL3049391 0.80 KMT2A (0.47) HTR6SLC22A12PTGDR2
SCHEMBL13139532 0.78 MEN1 (0.47) HTR6
SCHEMBL13139524 0.76 HTR6 (0.46) HTR6
SCHEMBL13139529 0.74 MEN1 (0.40) HTR6SLC22A12BRD4PTGDR2
SCHEMBL8539183 0.71 HTR6 (0.52) HTR6PTGDR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8492559-B2 Substituted indole compounds GRUENENTHAL GMBH (DE) 2013-07-23 — — US disclosed
US-8492559-B2 Substituted indole compounds GRUENENTHAL GMBH (DE) 2013-07-23 — — US disclosed
US-8492559-B2 Substituted indole compounds GRUENENTHAL GMBH (DE) 2013-07-23 — — US disclosed
US-20100222324-A1 Substituted Indole Compounds GRUENENTHAL GMBH (DE) 2010-09-02 — — US disclosed
US-20100222324-A1 Substituted Indole Compounds GRUENENTHAL GMBH (DE) 2010-09-02 — — US disclosed
US-20100222324-A1 Substituted Indole Compounds GRUENENTHAL GMBH (DE) 2010-09-02 — — 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-20100222324-A1 Substituted Indole Compounds BDKRB1, BDKRB2, EDNRB HTR6 103/4885SLC22A12 3817/4885HIF1A 1107/4885

“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.

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