SCHEMBL13178662

SCHEMBL13178662

C=C(C)OC(=O)Cn1ccc2ccc(NS(=O)(=O)c3ccccc3C(F)(F)F)cc21

nearest known ligand 0.45

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ SLC22A12 Q96S37 13/20 0.45
▸ HTR6 P50406 2/20 0.44
▸ HIF1A Q16665 1/20 0.43
▸ PTGDR2 Q9Y5Y4 3/20 0.43
▸ BRD4 O60885 1/20 0.41

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
SCHEMBL13139525 0.88 SLC22A12 (0.47) SLC22A12HTR6HIF1APTGDR2BRD4
SCHEMBL3053314 0.85 SLC22A12 (0.52) SLC22A12HTR6PTGDR2
SCHEMBL3063588 0.83 HTR6 (0.51) SLC22A12HTR6HIF1APTGDR2BRD4
SCHEMBL3063587 0.80 SLC22A12 (0.48) SLC22A12HTR6HIF1APTGDR2BRD4
SCHEMBL3062553 0.79 HTR6 (0.51) SLC22A12HTR6PTGDR2BRD4
SCHEMBL13139536 0.74 HTR6 (0.64) HTR6BRD4
SCHEMBL3059970 0.69 HTR6 (0.68) HTR6
SCHEMBL13139534 0.69 MEN1 (0.47) SLC22A12PTGDR2
SCHEMBL23631605 0.68 KDM4E (0.51) HTR6BRD4
SCHEMBL13139523 0.68 MEN1 (0.46) HTR6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 SLC22A12 3817/4885HTR6 103/4885HIF1A 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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