SCHEMBL14302279

SCHEMBL14302279

C=C[C@@H]1C[C@]1(CC)C(=O)NS(=O)(=O)c1ccccc1NC

nearest known ligand 0.36

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ HTR6 P50406 1/20 0.35
▸ CA1 P00915 2/20 0.33
▸ CA2 P00918 2/20 0.33
▸ BRS3 P32247 1/20 0.32
▸ NR3C1 P04150 1/20 0.32
▸ METAP2 P50579 2/20 0.31
▸ P2RX4 Q99571 1/20 0.30
▸ P2RX7 Q99572 1/20 0.30
▸ HSD11B1 P28845 1/20 0.30

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
SCHEMBL14302082 0.85 METAP2 (0.34) CA1CA2NR3C1METAP2HSD11B1
SCHEMBL14277995 0.83 HTR6 (0.37) HTR6CA1CA2BRS3METAP2
SCHEMBL1013915 0.82 HTR6 (0.36) HTR6CA1CA2BRS3METAP2
SCHEMBL1013917 0.82 HTR6 (0.36) HTR6CA1CA2BRS3METAP2
Hydrochloric Acid SCHEMBL1017421 0.81 HTR6 (0.35) HTR6CA1CA2BRS3METAP2
SCHEMBL14364350 0.81 HTR6 (0.38) HTR6CA1CA2BRS3METAP2
Hydrochloric Acid SCHEMBL1017420 0.81 HTR6 (0.35) HTR6CA1CA2BRS3METAP2
SCHEMBL14278298 0.80 HTR6 (0.35) HTR6CA1CA2BRS3METAP2
SCHEMBL14302072 0.78 ALDH1A1 (0.46) —
SCHEMBL14302277 0.76 STS (0.41) CA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080045530-A1 Organic Compounds and Their Uses BRANDL TRIXI 2008-02-21 — — 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-20080045530-A1 Organic Compounds and Their Uses OAT, OTC, AOX1 HTR6 1155/4885CA1 2516/4885CA2 1716/4885

“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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