SCHEMBL3065418

SCHEMBL3065418

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

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 2/20 0.40
▸ MAPT P10636 1/20 0.40
▸ MEN1 O00255 3/20 0.39
▸ KMT2A Q03164 3/20 0.39
▸ SMN1; SMN2 Q16637 3/20 0.39
▸ HTT P42858 2/20 0.39
▸ LMNA P02545 2/20 0.39
▸ TSHR P16473 2/20 0.39
▸ TDP1 Q9NUW8 2/20 0.38
▸ ITGB3 P05106 1/20 0.37
▸ ITGB1 P05556 1/20 0.37
▸ ITGAV P06756 1/20 0.37
▸ ITGA5 P08648 1/20 0.37
▸ ITGB5 P18084 1/20 0.37
▸ PTGER3 P43115 1/20 0.37
▸ CASP3 P42574 1/20 0.37
▸ SENP8 Q96LD8 1/20 0.37
▸ SENP7 Q9BQF6 1/20 0.37
▸ SENP6 Q9GZR1 1/20 0.37
▸ ALDH1A1 P00352 2/20 0.37

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
SCHEMBL13139533 0.92 GAA (0.40) GAAMAPTMEN1KMT2ASMN1; SMN2
SCHEMBL3047576 0.90 KMT2A (0.41) GAAMAPTMEN1KMT2ASMN1; SMN2
SCHEMBL3057076 0.85 MEN1 (0.38) GAAMAPTMEN1KMT2ASMN1; SMN2
SCHEMBL3052564 0.82 OPRD1 (0.38) GAAMAPTTDP1HSD17B10L3MBTL1
SCHEMBL13139521 0.82 ACLY (0.39) GAAMAPTMEN1KMT2ASMN1; SMN2
SCHEMBL3061729 0.81 BDKRB1 (0.51) MEN1KMT2ATSHRALDH1A1HSD17B10
SCHEMBL3056130 0.81 BDKRB1 (0.51) KMT2ATSHRALDH1A1L3MBTL1
SCHEMBL3053591 0.81 KDM4E (0.41) GAAMAPTMEN1KMT2AHTT
SCHEMBL3060341 0.80 BDKRB1 (0.53) —
SCHEMBL3051543 0.80 BDKRB1 (0.52) MEN1KMT2ATDP1

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 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.

Send feedback