SCHEMBL5960063

SCHEMBL5960063

COc1cccc2c1CCN2S(=O)(=O)c1ccccc1

nearest known ligand 0.62

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ HTR6 P50406 12/20 0.62
▸ DRD3 P35462 6/20 0.62
▸ DRD2 P14416 5/20 0.62
▸ HRH3 Q9Y5N1 4/20 0.58
▸ GAA P10253 1/20 0.56
▸ GFER P55789 1/20 0.56
▸ CYP3A4 P08684 1/20 0.55
▸ CYP2D6 P10635 1/20 0.55
▸ CYP2C9 P11712 1/20 0.55
▸ CYP2C19 P33261 1/20 0.55
▸ PDE4A P27815 1/20 0.54
▸ PDE4B Q07343 1/20 0.54
▸ PDE4C Q08493 1/20 0.54
▸ PDE4D Q08499 1/20 0.54
▸ SMN1; SMN2 Q16637 1/20 0.52
▸ NOTUM Q6P988 1/20 0.51

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
SCHEMBL5960057 0.89 PDE4A (0.52) HTR6DRD3DRD2HRH3GAA
SCHEMBL30015410 0.83 LMNA (0.53) HTR6DRD3DRD2GAAPDE4A
SCHEMBL13711071 0.80 HTR6 (0.66) HTR6DRD3DRD2HRH3CYP3A4
SCHEMBL5960101 0.79 MEN1 (0.61) HTR6DRD3DRD2GAAPDE4A
SCHEMBL5461753 0.78 PDE4A (0.46) HTR6GFERPDE4APDE4BPDE4C
SCHEMBL14415236 0.77 HTR6 (0.64) HTR6DRD3DRD2HRH3SMN1; SMN2
SCHEMBL14415301 0.76 HTR6 (0.81) HTR6
SCHEMBL5960047 0.75 TSHR (0.56) GAASMN1; SMN2
SCHEMBL14415499 0.75 HTR6 (0.62) HTR6DRD3DRD2HRH3
SCHEMBL5461599 0.75 KMT2A (0.54) HTR6PDE4APDE4BPDE4CPDE4D

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7049468-B2 Modulators of Rho C activity ICONIX PHARMACEUTICALS, INC. (US) 2006-05-23 — — US disclosed
EP-1453470-A4 MODULATORS OF RHO C ACTIVITY ICONIX PHARM INC (US) 2006-05-17 — — EP disclosed
EP-1453470-A1 MODULATORS OF RHO C ACTIVITY Iconix Pharmaceuticals, Inc. (US) 2004-09-08 — — EP disclosed
US-20030171341-A1 Method for modulating the activity of a Rho C enzyme, comprising: contacting said Rho C enzyme with an effective amount of a compound of formula 1: ENTELOS HOLDING CORP. 2003-09-11 — — US disclosed
WO-2003043578-A2 MODULATORS OF RHO C ACTIVITY ICONIX PHARMACEUTICALS, INC. (US) 2003-05-30 — — 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-20030171341-A1 Method for modulating the activity of a Rho C enzyme, comprising: contacting said Rho C enzyme with an effective amount of a compound of formula 1: RHOC, RHOA, ROCK1 HTR6 3458/4885DRD3 2675/4885DRD2 3568/4885

“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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