SCHEMBL4476225

SCHEMBL4476225

Cc1ccc(S(=O)(=O)n2cc(-c3csc(NC(=O)O)c3)c3cccnc32)cc1

nearest known ligand 0.45

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.45
PTGDR2 Q9Y5Y4 1/20 0.43
PTPN11 Q06124 1/20 0.43
RORC P51449 12/20 0.43
GRM4 Q14833 2/20 0.39
CYP3A4 P08684 1/20 0.38
ROCK1 Q13464 1/20 0.38

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
SCHEMBL4584452 0.93 HTR6 (0.44) PTGDR2RORC
SCHEMBL13888089 0.89 RORC (0.41) L3MBTL1PTGDR2PTPN11RORC
SCHEMBL8240222 0.84 RORC (0.42) RORC
SCHEMBL4476147 0.83 ROCK1 (0.55) RORCCYP3A4ROCK1
SCHEMBL4478038 0.83 L3MBTL1 (0.46) L3MBTL1PTGDR2PTPN11
SCHEMBL8944259 0.80 L3MBTL1 (0.67) L3MBTL1PTGDR2PTPN11
SCHEMBL4583237 0.80 PIK3C3 (0.45) L3MBTL1RORC
SCHEMBL10125133 0.79 L3MBTL1 (0.45) L3MBTL1RORCGRM4
SCHEMBL1666756 0.77 L3MBTL1 (0.48) L3MBTL1PTGDR2PTPN11
SCHEMBL14510800 0.77 L3MBTL1 (0.41) L3MBTL1RORC

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-7514448-B2 Azaindoles useful as inhibitors of rock and other protein kinases VERTEX PHARMACEUTICALS INCORPORATED (US) 2009-04-07 US disclosed
EP-1756108-A2 AZAINDOLES USEFUL AS INHIBITORS OF ROCK AND OTHER PROTEIN KINASES Vertex Pharmaceuticals Incorporated (US) 2007-02-28 EP disclosed
US-20060003968-A1 Azaindoles useful as inhibitors of rock and other protein kinases VERTEX PHARMACEUTICALS INCORPORATED 2006-01-05 US disclosed
WO-2005103050-A2 AZAINDOLES USEFUL AS INHIBITORS OF ROCK AND OTHER PROTEIN KINASES VERTEX PHARMACEUTICALS INCORPORATED (US) 2005-11-03 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-20060003968-A1 Azaindoles useful as inhibitors of rock and other protein kinases ROCK2, ROCK1, TNK2 L3MBTL1 3130/4885PTGDR2 1259/4885PTPN11 768/4885

“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.