SCHEMBL3058830

SCHEMBL3058830

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

nearest known ligand 0.50

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ HSD17B1 P14061 1/20 0.50
▸ HSD17B2 P37059 1/20 0.50
▸ MEN1 O00255 1/20 0.50
▸ KMT2A Q03164 1/20 0.50
▸ HTR6 P50406 6/20 0.43
▸ S1PR1 P21453 6/20 0.43
▸ ALDH1A1 P00352 1/20 0.42
▸ HSD17B10 Q99714 1/20 0.42
▸ LMNA P02545 1/20 0.41
▸ IDH1 O75874 1/20 0.40

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
SCHEMBL3047557 0.90 KMO (0.52) HSD17B1HSD17B2MEN1KMT2AHTR6
SCHEMBL13139523 0.87 MEN1 (0.46) HSD17B1HSD17B2MEN1KMT2AHTR6
SCHEMBL3061861 0.87 MEN1 (0.48) HSD17B1HSD17B2MEN1KMT2AHTR6
SCHEMBL13139532 0.84 MEN1 (0.47) HSD17B1HSD17B2MEN1KMT2AHTR6
SCHEMBL27422020 0.81 MEN1 (0.57) HSD17B1HSD17B2MEN1KMT2AHTR6
SCHEMBL27421833 0.79 MEN1 (0.55) HSD17B1HSD17B2MEN1KMT2AHTR6
SCHEMBL3056165 0.78 HSD17B1 (0.47) HSD17B1HSD17B2MEN1KMT2AS1PR1
SCHEMBL3053112 0.77 ALDH1A1 (0.46) MEN1KMT2AHTR6ALDH1A1LMNA
SCHEMBL3059970 0.77 HTR6 (0.68) KMT2AHTR6ALDH1A1
SCHEMBL3053314 0.75 SLC22A12 (0.52) MEN1KMT2AHTR6ALDH1A1

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 3507/4885MEN1 1256/4885

“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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