SCHEMBL3047576

SCHEMBL3047576

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

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 4/20 0.41
▸ MEN1 O00255 3/20 0.41
▸ LMNA P02545 3/20 0.41
▸ SMN1; SMN2 Q16637 2/20 0.41
▸ TSHR P16473 2/20 0.41
▸ HTT P42858 1/20 0.41
▸ PTGER3 P43115 2/20 0.40
▸ GAA P10253 2/20 0.39
▸ MAPT P10636 1/20 0.39
▸ TDP1 Q9NUW8 1/20 0.39
▸ ALDH1A1 P00352 2/20 0.38
▸ MCOLN3 Q8TDD5 1/20 0.37
▸ POLB P06746 1/20 0.36
▸ NR3C1 P04150 1/20 0.36
▸ PGR P06401 1/20 0.36
▸ NR3C2 P08235 1/20 0.36
▸ PTGER4 P35408 1/20 0.36
▸ PTGER2 P43116 1/20 0.36
▸ KDM4E B2RXH2 1/20 0.36
▸ HPGD P15428 1/20 0.36

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 0.90 GAA (0.40) KMT2AMEN1LMNASMN1; SMN2TSHR
SCHEMBL13139521 0.88 ACLY (0.39) KMT2AMEN1LMNASMN1; SMN2TSHR
SCHEMBL3057076 0.86 MEN1 (0.38) KMT2AMEN1LMNASMN1; SMN2TSHR
SCHEMBL13139533 0.86 GAA (0.40) KMT2AMEN1LMNASMN1; SMN2TSHR
SCHEMBL3057223 0.79 MAPT (0.37) KMT2AMAPT
SCHEMBL3052067 0.79 TDP1 (0.51) KMT2ALMNASMN1; SMN2TDP1ALDH1A1
SCHEMBL13139645 0.79 BDKRB1 (0.41) ALDH1A1
SCHEMBL3053112 0.78 ALDH1A1 (0.46) KMT2AMEN1LMNASMN1; SMN2TSHR
SCHEMBL3049768 0.78 CYP2D6 (0.45) SMN1; SMN2TSHRALDH1A1HPGD
SCHEMBL3046916 0.78 BDKRB1 (0.39) HSD17B10

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 KMT2A 2512/4885MEN1 1256/4885LMNA 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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