SCHEMBL13624636

SCHEMBL13624636

O=C1CCCc2c1n(S(=O)(=O)c1ccccc1)c1ccccc21

nearest known ligand 0.56

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ TP53 P04637 1/20 0.56
▸ CREBBP Q92793 1/20 0.56
▸ HTR6 P50406 17/20 0.53
▸ PTGS1 P23219 1/20 0.43
▸ PTGS2 P35354 1/20 0.43
▸ AGTR1 P30556 1/20 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
SCHEMBL4300547 0.85 HTR6 (0.53) TP53CREBBPHTR6PTGS1PTGS2
SCHEMBL30223561 0.73 KDM4E (0.66) TP53CREBBP
SCHEMBL22118133 0.73 KDM4E (0.66) TP53CREBBP
SCHEMBL12093313 0.73 HTR6 (0.70) HTR6
SCHEMBL13624634 0.72 HTR6 (0.51) HTR6
SCHEMBL5322539 0.71 TP53 (1.00) TP53CREBBP
SCHEMBL30395130 0.71 TP53 (1.00) TP53CREBBP
SCHEMBL7192965 0.71 AGTR1 (0.55) HTR6AGTR1
SCHEMBL2319772 0.71 KDM4E (0.49) TP53CREBBPHTR6PTGS1PTGS2
SCHEMBL14730819 0.70 HTR6 (0.44) HTR6AGTR1

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-7622494-B2 Chemical compounds SMITHKLINE BEECHAM CORPORATION (US) 2009-11-24 — — US disclosed
US-20090170923-A1 HCV INHIBITORS SMITHKLINE BEECHAM CORPORATION 2009-07-02 — — 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-20090170923-A1 HCV INHIBITORS HAVCR2, MAVS, EIF2AK2 TP53 2850/4885CREBBP 3006/4885HTR6 4552/4885

“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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