SCHEMBL5430816

SCHEMBL5430816

Cn1cnc(S(=O)(=O)N2CCC(N3COCc4ccccc43)CC2)c1

nearest known ligand 0.52

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 1/20 0.52
▸ LMNA P02545 3/20 0.49
▸ PKM P14618 1/20 0.48
▸ POLB P06746 1/20 0.48
▸ GAA P10253 1/20 0.43
▸ TP53 P04637 1/20 0.42
▸ SLC6A9 P48067 2/20 0.41

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
SCHEMBL5435335 0.84 HTR6 (0.46) PKM
SCHEMBL3144595 0.82 HTR6 (0.60) TSHRLMNAPKMPOLB
SCHEMBL5431697 0.81 ALDH1A1 (0.51) LMNAPKMPOLBGAATP53
SCHEMBL5441438 0.78 ALDH1A1 (0.43) LMNAPKMPOLBGAATP53
SCHEMBL5428107 0.78 HTR6 (0.47) TSHRGAATP53
SCHEMBL5438029 0.77 OPRM1 (0.39) TSHRPOLBTP53
SCHEMBL5784647 0.76 THRB (0.41) LMNATP53
SCHEMBL5433078 0.76 TSHR (0.55) TSHRLMNAPKMPOLB
SCHEMBL5428757 0.76 GAA (0.52) TSHRPKMPOLBGAATP53
SCHEMBL5441823 0.76 MEN1 (0.47) LMNAPKMGAATP53

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-20070032482-A1 Benzoxazinone-derived sulfonamide compounds, their preparation and use as medicaments LABORATORIOS DEL DR. ESTEVE S.A. (ES) 2007-02-08 — — US claimed
US-20070032482-A1 Benzoxazinone-derived sulfonamide compounds, their preparation and use as medicaments LABORATORIOS DEL DR. ESTEVE S.A. (ES) 2007-02-08 — — US disclosed
EP-1648886-A1 BENZOXAZINONE-DERIVED SULFONAMIDE COMPOUNDS, THEIR PREPARATION AND USE AS MEDICAMENTS LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2006-04-26 — — EP disclosed
WO-2005014589-A1 BENZOXAZINONE-DERIVED SULFONAMIDE COMPOUNDS, THEIR PREPARATION AND USE AS MEDICAMENTS LABORATORIOS DEL DR. ESTEVE S.A. (DE) 2005-02-17 — — WO 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-20070032482-A1 Benzoxazinone-derived sulfonamide compounds, their preparation and use as medicaments HTR6, HTR5A, P2RX6 TSHR 834/4885LMNA 3123/4885PKM 1522/4885

“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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