SCHEMBL13139533

SCHEMBL13139533

COC(=O)CCn1ccc2cccc(NS(=O)(=O)c3c(C)cc(OC)cc3C)c21

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 1/20 0.40
▸ MAPT P10636 1/20 0.40
▸ MEN1 O00255 3/20 0.39
▸ KMT2A Q03164 3/20 0.39
▸ HTT P42858 2/20 0.39
▸ SMN1; SMN2 Q16637 2/20 0.39
▸ LMNA P02545 2/20 0.39
▸ TSHR P16473 1/20 0.39
▸ PTGER3 P43115 2/20 0.39
▸ TDP1 Q9NUW8 1/20 0.38
▸ ALDH1A1 P00352 2/20 0.37
▸ NPC1 O15118 1/20 0.36
▸ TP53 P04637 1/20 0.36
▸ RAB9A P51151 1/20 0.36
▸ HSD17B10 Q99714 1/20 0.36
▸ TNF P01375 1/20 0.35
▸ DYRK1A Q13627 1/20 0.35
▸ NR3C1 P04150 1/20 0.35
▸ PGR P06401 1/20 0.35
▸ NR3C2 P08235 1/20 0.35

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
SCHEMBL3065418 0.92 GAA (0.40) GAAMAPTMEN1KMT2AHTT
SCHEMBL3047576 0.86 KMT2A (0.41) GAAMAPTMEN1KMT2AHTT
SCHEMBL13139521 0.84 ACLY (0.39) GAAMAPTMEN1KMT2AHTT
SCHEMBL3056130 0.83 BDKRB1 (0.51) KMT2ATSHRALDH1A1
SCHEMBL3057076 0.83 MEN1 (0.38) GAAMAPTMEN1KMT2AHTT
SCHEMBL3053591 0.81 KDM4E (0.41) GAAMAPTMEN1KMT2AHTT
SCHEMBL3061729 0.81 BDKRB1 (0.51) MEN1KMT2ATSHRALDH1A1HSD17B10
SCHEMBL13139531 0.81 HSD17B1 (0.43) GAAMAPTMEN1KMT2ASMN1; SMN2
SCHEMBL3052564 0.80 OPRD1 (0.38) GAAMAPTTDP1HSD17B10
SCHEMBL3060341 0.80 BDKRB1 (0.53) —

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 4 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-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 GAA 4859/4885MAPT 1511/4885MEN1 1256/4885

“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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