SCHEMBL3053031

SCHEMBL3053031

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

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ HSD17B1 P14061 1/20 0.45
▸ HSD17B2 P37059 1/20 0.45
▸ ALDH1A1 P00352 1/20 0.42
▸ HPGD P15428 1/20 0.42
▸ HSD17B10 Q99714 1/20 0.42
▸ HKDC1 Q2TB90 1/20 0.39
▸ S1PR1 P21453 7/20 0.39
▸ KMO O15229 1/20 0.38
▸ TP53 P04637 1/20 0.38
▸ MEN1 O00255 2/20 0.38
▸ KMT2A Q03164 2/20 0.38
▸ PKM P14618 1/20 0.38
▸ LMNA P02545 1/20 0.38
▸ MAPT P10636 1/20 0.38
▸ S1PR4 O95977 1/20 0.37
▸ S1PR3 Q99500 1/20 0.37
▸ S1PR5 Q9H228 1/20 0.37

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
SCHEMBL13139531 0.90 HSD17B1 (0.43) HSD17B1HSD17B2ALDH1A1HPGDHSD17B10
SCHEMBL3056165 0.90 HSD17B1 (0.47) HSD17B1HSD17B2ALDH1A1HPGDHSD17B10
SCHEMBL3051446 0.85 S1PR1 (0.44) HSD17B1HSD17B2ALDH1A1HPGDHSD17B10
SCHEMBL13139528 0.82 HSD17B1 (0.43) HSD17B1HSD17B2ALDH1A1HPGDHSD17B10
SCHEMBL3043132 0.81 METAP2 (0.37) HSD17B1HSD17B2ALDH1A1HSD17B10TP53
SCHEMBL3056953 0.81 HSD11B1 (0.36) HSD17B1HSD17B2ALDH1A1HSD17B10TP53
SCHEMBL3061724 0.80 CACNA2D1 (0.39) HSD17B1HSD17B2TP53PKMMAPT
SCHEMBL3053503 0.80 DRD2 (0.38) HSD17B1HSD17B2LMNAMAPT
SCHEMBL3047557 0.79 KMO (0.52) HSD17B1HSD17B2ALDH1A1HSD17B10S1PR1
SCHEMBL3065418 0.78 GAA (0.40) ALDH1A1HSD17B10TP53MEN1KMT2A

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 HSD17B1 2880/4885HSD17B2 3507/4885ALDH1A1 1551/4885

“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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