SCHEMBL3047557

SCHEMBL3047557

Cc1cc(S(=O)(=O)Nc2ccc3ccn(CCC(=O)O)c3c2)c(C)cc1Cl

nearest known ligand 0.56

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ KMO O15229 1/20 0.52
▸ MEN1 O00255 1/20 0.48
▸ KMT2A Q03164 1/20 0.48
▸ HSD17B1 P14061 1/20 0.48
▸ HSD17B2 P37059 1/20 0.48
▸ HTR6 P50406 8/20 0.46
▸ MCL1 Q07820 2/20 0.43
▸ S1PR1 P21453 4/20 0.42
▸ ALDH1A1 P00352 1/20 0.41
▸ HSD17B10 Q99714 1/20 0.41

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
SCHEMBL13139532 0.90 MEN1 (0.47) KMOMEN1KMT2AHSD17B1HSD17B2
SCHEMBL3058830 0.90 HSD17B1 (0.50) MEN1KMT2AHSD17B1HSD17B2HTR6
SCHEMBL3061861 0.85 MEN1 (0.48) MEN1KMT2AHSD17B1HSD17B2HTR6
SCHEMBL27422020 0.82 MEN1 (0.57) MEN1KMT2AHSD17B1HSD17B2HTR6
SCHEMBL13139523 0.82 MEN1 (0.46) MEN1KMT2AHSD17B1HSD17B2HTR6
SCHEMBL3053031 0.79 HSD17B1 (0.45) KMOMEN1KMT2AHSD17B1HSD17B2
SCHEMBL3053633 0.78 KMO (0.46) KMOMEN1KMT2AHTR6MCL1
SCHEMBL27421833 0.78 MEN1 (0.55) MEN1KMT2AHSD17B1HSD17B2HTR6
SCHEMBL3062553 0.76 HTR6 (0.51) KMOHTR6
SCHEMBL3049736 0.74 HTR6 (0.41) MEN1KMT2AHSD17B1HSD17B2HTR6

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 KMO 452/4885MEN1 1256/4885KMT2A 2512/4885

“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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