SCHEMBL3056953

SCHEMBL3056953

Cc1cc(S(=O)(=O)Nc2cccc3ccn(CCC(=O)N4CCC(N5CCN(C)CC5)CC4)c23)c(C)cc1Cl

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ HSD11B1 P28845 3/20 0.36
▸ HSD17B1 P14061 2/20 0.36
▸ HSD17B2 P37059 2/20 0.36
▸ HRH3 Q9Y5N1 1/20 0.36
▸ BDKRB1 P46663 2/20 0.35
▸ METAP2 P50579 1/20 0.35
▸ ACHE P22303 1/20 0.35
▸ TP53 P04637 1/20 0.34
▸ CCR3 P51677 3/20 0.34
▸ CACNA1H O95180 3/20 0.34
▸ HRH1 P35367 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ MAPK1 P28482 1/20 0.34
▸ HSD17B10 Q99714 1/20 0.34
▸ HTT P42858 1/20 0.34
▸ NPSR1 Q6W5P4 1/20 0.34

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
SCHEMBL3043132 0.97 METAP2 (0.37) HSD11B1HSD17B1HSD17B2HRH3BDKRB1
SCHEMBL3061724 0.87 CACNA2D1 (0.39) HSD11B1HSD17B1HSD17B2HRH3BDKRB1
SCHEMBL3053503 0.85 DRD2 (0.38) HSD11B1HSD17B1HSD17B2BDKRB1
SCHEMBL3056130 0.83 BDKRB1 (0.51) BDKRB1ACHECCR3ALDH1A1MAPK1
SCHEMBL13139531 0.81 HSD17B1 (0.43) HSD17B1HSD17B2TP53ALDH1A1HSD17B10
SCHEMBL3053031 0.81 HSD17B1 (0.45) HSD17B1HSD17B2TP53ALDH1A1HSD17B10
SCHEMBL3061729 0.80 BDKRB1 (0.51) BDKRB1ALDH1A1MAPK1HSD17B10
SCHEMBL3056165 0.76 HSD17B1 (0.47) HSD17B1HSD17B2TP53ALDH1A1HSD17B10
SCHEMBL3055517 0.73 BDKRB1 (0.39) BDKRB1
SCHEMBL3051446 0.73 S1PR1 (0.44) HSD17B1HSD17B2ALDH1A1HSD17B10

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8492559-B2 Substituted indole compounds GRUENENTHAL GMBH (DE) 2013-07-23 — — US claimed
US-20100222324-A1 Substituted Indole Compounds GRUENENTHAL GMBH (DE) 2010-09-02 — — US claimed
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 HSD11B1 1289/4885HSD17B1 2880/4885HSD17B2 3507/4885

“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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