SCHEMBL3057526

SCHEMBL3057526

COc1cc(C)c(S(=O)(=O)Nc2ccc3ccn(CC(C)C(=O)O)c3c2)c(C)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 1/20 0.43
▸ TSHR P16473 2/20 0.41
▸ MEN1 O00255 1/20 0.41
▸ LMNA P02545 1/20 0.41
▸ HTT P42858 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ NR3C1 P04150 1/20 0.41
▸ PGR P06401 1/20 0.41
▸ NR3C2 P08235 1/20 0.41
▸ HTR6 P50406 3/20 0.40
▸ NTSR1 P30989 3/20 0.40
▸ ITGB3 P05106 1/20 0.40
▸ ITGAV P06756 1/20 0.40
▸ GAA P10253 2/20 0.39
▸ POLB P06746 1/20 0.39
▸ MTNR1A P48039 2/20 0.39
▸ MTNR1B P49286 2/20 0.39
▸ HDAC3 O15379 1/20 0.38
▸ HDAC4 P56524 1/20 0.38

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
SCHEMBL3053112 0.86 ALDH1A1 (0.46) ALDH1A1TSHRMEN1LMNAHTT
SCHEMBL3053633 0.84 KMO (0.46) ALDH1A1TSHRMEN1LMNAHTT
SCHEMBL13139524 0.82 HTR6 (0.46) ALDH1A1TSHRMEN1LMNAHTT
SCHEMBL13139522 0.80 ALDH1A1 (0.42) ALDH1A1TSHRMEN1LMNAHTT
SCHEMBL3057076 0.80 MEN1 (0.38) ALDH1A1TSHRMEN1LMNAHTT
SCHEMBL3061861 0.80 MEN1 (0.48) ALDH1A1MEN1LMNAKMT2AHTR6
SCHEMBL3063587 0.75 SLC22A12 (0.48) HTR6NTSR1
SCHEMBL3062814 0.73 HTR6 (0.46) HTR6MTNR1AMTNR1B
SCHEMBL3042694 0.70 CYP2D6 (0.45) TSHRSMN1; SMN2ITGB3
SCHEMBL3056950 0.68 HTR2C (0.48) ALDH1A1SMN1; SMN2NTSR1ITGB3ITGAV

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 ALDH1A1 1551/4885TSHR 218/4885MEN1 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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