SCHEMBL417286

SCHEMBL417286

COc1ccc([S+]([O-])CCCC(=O)N(C)Cc2cc(Cl)ccc2OC)cc1

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.40
MAPT P10636 1/20 0.40
BCHE P06276 5/20 0.39
ACHE P22303 5/20 0.39
POLB P06746 2/20 0.39
ALDH1A1 P00352 1/20 0.39
HTT P42858 1/20 0.39
NLRP3 Q96P20 1/20 0.39
CRHBP P24387 1/20 0.38
CRHR2 Q13324 1/20 0.38
CHRM2 P08172 1/20 0.38
CHRM1 P11229 1/20 0.38
HSP90AA1 P07900 1/20 0.38
CYP11B1 P15538 1/20 0.37
CYP11B2 P19099 1/20 0.37
ALOX5 P09917 1/20 0.36

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
SCHEMBL417734 0.89 BCHE (0.40) SMN1; SMN2BCHEACHEALDH1A1HTT
SCHEMBL419699 0.82 BCHE (0.37) SMN1; SMN2BCHEACHEPOLBALDH1A1
SCHEMBL414747 0.81 PDE4B (0.49) SMN1; SMN2MAPTBCHEACHEPOLB
SCHEMBL417325 0.80 BCHE (0.40) MAPTBCHEACHEPOLBALDH1A1
SCHEMBL2483885 0.80 MAPT (0.34) SMN1; SMN2MAPTALDH1A1
SCHEMBL415251 0.79 ALDH1A1 (0.42) SMN1; SMN2MAPTBCHEACHEPOLB
SCHEMBL3252038 0.77 ALDH1A1 (0.31) MAPTALDH1A1HTT
SCHEMBL419726 0.71 HTR2A (0.39) SMN1; SMN2MAPTBCHEACHEPOLB
SCHEMBL415585 0.71 BCHE (0.47) BCHEACHECHRM2CHRM1HSP90AA1
SCHEMBL417839 0.71 MEN1 (0.41) SMN1; SMN2MAPTBCHEACHEPOLB

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-20120022054-A1 NOVEL SUBSTITUTED ARYL DERIVATIVES, THEIR PROCESS OF PREPARATION AND THEIR THERAPEUTICAL USES AS ANTI-HIV AGENTS LABORATOIRE BIODIM (FR) 2012-01-26 US claimed
US-20120022054-A1 NOVEL SUBSTITUTED ARYL DERIVATIVES, THEIR PROCESS OF PREPARATION AND THEIR THERAPEUTICAL USES AS ANTI-HIV AGENTS LABORATOIRE BIODIM (FR) 2012-01-26 US disclosed
EP-2376431-A1 NOVEL SUBSTITUTED ARYL DERIVATIVES, THEIR PROCESS OF PREPARATION AND THEIR THERAPEUTICAL USES AS ANTI-HIV AGENTS LABORATOIRE BIODIM (FR) 2011-10-19 EP disclosed
WO-2010066847-A1 NOVEL SUBSTITUTED ARYL DERIVATIVES, THEIR PROCESS OF PREPARATION AND THEIR THERAPEUTICAL USES AS ANTI-HIV AGENTS CELLVIR (FR) 2010-06-17 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-20120022054-A1 NOVEL SUBSTITUTED ARYL DERIVATIVES, THEIR PROCESS OF PREPARATION AND THEIR THERAPEUTICAL USES AS ANTI-HIV AGENTS HAVCR2, MAVS, EIF2AK2 SMN1; SMN2 4050/4885MAPT 3216/4885BCHE 3039/4885

“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.