SCHEMBL3051446

SCHEMBL3051446

Cc1cc(S(=O)(=O)Nc2cccc3ccn(CC(C)C(=O)O)c23)c(C)cc1Cl

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ S1PR1 P21453 7/20 0.44
▸ HSD17B1 P14061 1/20 0.43
▸ HSD17B2 P37059 1/20 0.43
▸ ALDH1A1 P00352 1/20 0.40
▸ HPGD P15428 1/20 0.40
▸ HSD17B10 Q99714 1/20 0.40
▸ S1PR4 O95977 1/20 0.40
▸ S1PR3 Q99500 1/20 0.40
▸ S1PR5 Q9H228 1/20 0.40
▸ MEN1 O00255 3/20 0.39
▸ KMT2A Q03164 3/20 0.39
▸ PKM P14618 1/20 0.37
▸ SLC6A9 P48067 1/20 0.36
▸ LMNA P02545 1/20 0.36
▸ NTSR1 P30989 1/20 0.36
▸ MCL1 Q07820 1/20 0.35
▸ SLC40A1 Q9NP59 1/20 0.35

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
SCHEMBL3056165 0.86 HSD17B1 (0.47) S1PR1HSD17B1HSD17B2ALDH1A1HPGD
SCHEMBL3053031 0.85 HSD17B1 (0.45) S1PR1HSD17B1HSD17B2ALDH1A1HPGD
SCHEMBL13139531 0.81 HSD17B1 (0.43) S1PR1HSD17B1HSD17B2ALDH1A1HPGD
SCHEMBL3061861 0.81 MEN1 (0.48) S1PR1HSD17B1HSD17B2ALDH1A1HSD17B10
SCHEMBL13139528 0.80 HSD17B1 (0.43) S1PR1HSD17B1HSD17B2ALDH1A1HPGD
SCHEMBL3057076 0.79 MEN1 (0.38) ALDH1A1HPGDHSD17B10MEN1KMT2A
SCHEMBL3049389 0.78 MEN1 (0.50) ALDH1A1MEN1KMT2ANTSR1MCL1
SCHEMBL3056953 0.73 HSD11B1 (0.36) HSD17B1HSD17B2ALDH1A1HSD17B10
SCHEMBL3043132 0.73 METAP2 (0.37) HSD17B1HSD17B2ALDH1A1HSD17B10
SCHEMBL3061724 0.72 CACNA2D1 (0.39) HSD17B1HSD17B2PKM

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 S1PR1 229/4885HSD17B1 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.

Send feedback