SCHEMBL5407405

SCHEMBL5407405

O=S(=O)(c1ccccc1)N1CCC(Nc2ccc3[nH]ncc3c2)CC1

nearest known ligand 0.64

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 20/20 0.64
ROCK1 Q13464 9/20 0.64
CCR2 P41597 4/20 0.64
CYP3A4 P08684 5/20 0.60
ARHGDIA P52565 1/20 0.53

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
SCHEMBL5641208 0.94 ROCK2 (0.62) ROCK2ROCK1CCR2CYP3A4
SCHEMBL5641662 0.88 ROCK2 (0.63) ROCK2ROCK1CCR2
SCHEMBL5401638 0.84 ROCK2 (0.63) ROCK2ROCK1CCR2CYP3A4
SCHEMBL5643209 0.83 ROCK2 (0.61) ROCK2ROCK1CCR2CYP3A4ARHGDIA
SCHEMBL5639070 0.83 ROCK2 (0.64) ROCK2ROCK1CCR2
SCHEMBL5412716 0.83 ROCK2 (0.62) ROCK2ROCK1CCR2CYP3A4
SCHEMBL1717403 0.81 ROCK2 (0.77) ROCK2ROCK1CCR2CYP3A4ARHGDIA
SCHEMBL31106313 0.79 CCR6 (0.75)
SCHEMBL5418331 0.78 ROCK2 (0.71) ROCK2ROCK1CCR2CYP3A4ARHGDIA
SCHEMBL224917 0.78 ROCK2 (1.00) ROCK2ROCK1CCR2ARHGDIA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7199147-B2 Rho kinase inhibitors DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2007-04-03 US disclosed
US-20040138286-A1 Rho kinase inhibitors DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2004-07-15 US disclosed
EP-1403255-A1 Rho KINASE INHIBITORS SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 2004-03-31 EP 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-20040138286-A1 Rho kinase inhibitors ROCK1, ROCK2, ARHGDIA ROCK2 2/4885ROCK1 1/4885CCR2 2824/4885

“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.