SCHEMBL3063587

SCHEMBL3063587

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

nearest known ligand 0.48

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ SLC22A12 Q96S37 11/20 0.48
▸ HTR6 P50406 2/20 0.47
▸ PTGDR2 Q9Y5Y4 3/20 0.46
▸ NTSR1 P30989 1/20 0.45
▸ PTPN2 P17706 1/20 0.44
▸ PTPN1 P18031 1/20 0.44
▸ PTPN5 P54829 1/20 0.44
▸ HIF1A Q16665 1/20 0.44
▸ BRD4 O60885 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
SCHEMBL3053314 0.86 SLC22A12 (0.52) SLC22A12HTR6PTGDR2PTPN2PTPN1
SCHEMBL3062553 0.84 HTR6 (0.51) SLC22A12HTR6PTGDR2PTPN2PTPN1
SCHEMBL13139525 0.82 SLC22A12 (0.47) SLC22A12HTR6PTGDR2HIF1ABRD4
SCHEMBL3063588 0.82 HTR6 (0.51) SLC22A12HTR6PTGDR2HIF1ABRD4
SCHEMBL3049389 0.81 MEN1 (0.50) SLC22A12HTR6PTGDR2NTSR1
SCHEMBL13178662 0.80 SLC22A12 (0.45) SLC22A12HTR6PTGDR2HIF1ABRD4
SCHEMBL3061861 0.78 MEN1 (0.48) HTR6NTSR1
SCHEMBL3057526 0.75 ALDH1A1 (0.43) HTR6NTSR1
SCHEMBL3059970 0.69 HTR6 (0.68) HTR6NTSR1
SCHEMBL3769130 0.68 SLC22A12 (0.70) SLC22A12

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-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

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 103/4885PTGDR2 90/4885

“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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