SCHEMBL3057076

SCHEMBL3057076

COc1cc(C)c(S(=O)(=O)Nc2cccc3ccn(CC(C)C(=O)O)c23)c(C)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 3/20 0.38
▸ KMT2A Q03164 3/20 0.38
▸ LMNA P02545 3/20 0.38
▸ SMN1; SMN2 Q16637 2/20 0.38
▸ TSHR P16473 1/20 0.38
▸ HTT P42858 1/20 0.38
▸ NR3C1 P04150 2/20 0.38
▸ PGR P06401 1/20 0.38
▸ NR3C2 P08235 1/20 0.38
▸ ITGB3 P05106 1/20 0.37
▸ ITGAV P06756 1/20 0.37
▸ GAA P10253 1/20 0.37
▸ MAPT P10636 1/20 0.37
▸ TDP1 Q9NUW8 1/20 0.36
▸ PTGER3 P43115 1/20 0.36
▸ BMP1 P13497 1/20 0.36
▸ ALDH1A1 P00352 2/20 0.35
▸ KEAP1 Q14145 2/20 0.35
▸ NFE2L2 Q16236 1/20 0.35
▸ NTSR1 P30989 2/20 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
SCHEMBL3047576 0.86 KMT2A (0.41) MEN1KMT2ALMNASMN1; SMN2TSHR
SCHEMBL3065418 0.85 GAA (0.40) MEN1KMT2ALMNASMN1; SMN2TSHR
SCHEMBL13139533 0.83 GAA (0.40) MEN1KMT2ALMNASMN1; SMN2TSHR
SCHEMBL13139521 0.80 ACLY (0.39) MEN1KMT2ALMNASMN1; SMN2TSHR
SCHEMBL3057526 0.80 ALDH1A1 (0.43) MEN1KMT2ALMNASMN1; SMN2TSHR
SCHEMBL3049389 0.74 MEN1 (0.50) MEN1KMT2AALDH1A1NTSR1
SCHEMBL3052564 0.74 OPRD1 (0.38) GAAMAPTTDP1HSD17B10
SCHEMBL3061729 0.73 BDKRB1 (0.51) MEN1KMT2ATSHRALDH1A1KDM4E
SCHEMBL3056130 0.73 BDKRB1 (0.51) KMT2ATSHRALDH1A1KDM4E
SCHEMBL3053591 0.73 KDM4E (0.41) MEN1KMT2AHTTGAAMAPT

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 MEN1 1256/4885KMT2A 2512/4885LMNA 2571/4885

“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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