SCHEMBL3061861

SCHEMBL3061861

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

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 1/20 0.48
▸ KMT2A Q03164 1/20 0.48
▸ HSD17B1 P14061 1/20 0.47
▸ HSD17B2 P37059 1/20 0.47
▸ S1PR1 P21453 7/20 0.47
▸ S1PR4 O95977 1/20 0.42
▸ S1PR3 Q99500 1/20 0.42
▸ S1PR5 Q9H228 1/20 0.42
▸ HTR6 P50406 4/20 0.41
▸ ALDH1A1 P00352 1/20 0.40
▸ HSD17B10 Q99714 1/20 0.40
▸ NTSR1 P30989 1/20 0.40
▸ SLC6A9 P48067 1/20 0.39
▸ LMNA P02545 1/20 0.39

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
SCHEMBL3058830 0.87 HSD17B1 (0.50) MEN1KMT2AHSD17B1HSD17B2S1PR1
SCHEMBL3047557 0.85 KMO (0.52) MEN1KMT2AHSD17B1HSD17B2S1PR1
SCHEMBL13139532 0.82 MEN1 (0.47) MEN1KMT2AHSD17B1HSD17B2S1PR1
SCHEMBL27421833 0.81 MEN1 (0.55) MEN1KMT2AHSD17B1HSD17B2S1PR1
SCHEMBL3051446 0.81 S1PR1 (0.44) MEN1KMT2AHSD17B1HSD17B2S1PR1
SCHEMBL13139523 0.81 MEN1 (0.46) MEN1KMT2AHSD17B1HSD17B2S1PR1
SCHEMBL3057526 0.80 ALDH1A1 (0.43) MEN1KMT2AHTR6ALDH1A1NTSR1
SCHEMBL27422020 0.79 MEN1 (0.57) MEN1KMT2AHSD17B1HSD17B2S1PR1
SCHEMBL3063587 0.78 SLC22A12 (0.48) HTR6NTSR1
SCHEMBL3056950 0.69 HTR2C (0.48) ALDH1A1HSD17B10NTSR1

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 2512/4885HSD17B1 2880/4885

“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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