SCHEMBL1349434

SCHEMBL1349434

CS(=O)(=O)c1cccc(-c2cccc([C@@H]3CN(S(=O)(=O)c4ccccc4)CC[C@@H]3c3ccccc3)c2)c1

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 2/20 0.44
CCR5 P51681 1/20 0.44
AKR1C1 Q04828 1/20 0.44
BCL9 O00512 1/20 0.43
CTNNB1 P35222 1/20 0.43
DRD2 P14416 3/20 0.43
USP5 P45974 1/20 0.43
GRIA2 P42262 1/20 0.43
CNR1 P21554 1/20 0.41
TP53 P04637 2/20 0.40
ALDH1A1 P00352 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
USP2 O75604 1/20 0.40
GAA P10253 1/20 0.40
DRD3 P35462 1/20 0.40
SIGMAR1 Q99720 1/20 0.40
NR1H2 P55055 1/20 0.39
NR1H3 Q13133 1/20 0.39

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
SCHEMBL1347178 1.00 AKR1C3 (0.44) AKR1C3CCR5AKR1C1BCL9CTNNB1
SCHEMBL1349430 1.00 AKR1C3 (0.44) AKR1C3CCR5AKR1C1BCL9CTNNB1
SCHEMBL1347181 1.00 AKR1C3 (0.44) AKR1C3CCR5AKR1C1BCL9CTNNB1
SCHEMBL1347177 1.00 AKR1C3 (0.44) AKR1C3CCR5AKR1C1BCL9CTNNB1
SCHEMBL1349356 0.86 USP2 (0.45) AKR1C3CCR5AKR1C1BCL9CTNNB1
SCHEMBL1348822 0.86 USP2 (0.45) AKR1C3CCR5AKR1C1BCL9CTNNB1
SCHEMBL1348821 0.84 CCR5 (0.44) AKR1C3CCR5AKR1C1BCL9CTNNB1
SCHEMBL15841672 0.84 CCR5 (0.44) AKR1C3CCR5AKR1C1BCL9CTNNB1
SCHEMBL1347917 0.81 ALDH1A1 (0.48) CCR5DRD2USP5ALDH1A1GAA
SCHEMBL1347914 0.81 ALDH1A1 (0.48) CCR5DRD2USP5ALDH1A1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2288594-B1 IMIDAZOLIDINE DERIVATIVES HOFFMANN LA ROCHE (CH) 2014-07-02 EP claimed
US-20090312382-A1 NOVEL IMIDAZOLIDINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2009-12-17 US claimed
EP-2288594-B1 IMIDAZOLIDINE DERIVATIVES HOFFMANN LA ROCHE (CH) 2014-07-02 EP disclosed
US-8063088-B2 Imidazolidine derivatives HOFFMANN-LA ROCHE INC. (US) 2011-11-22 US disclosed
EP-2288594-A1 IMIDAZOLIDINE DERIVATIVES F. Hoffmann-La Roche AG (CH) 2011-03-02 EP disclosed
US-20090312382-A1 NOVEL IMIDAZOLIDINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2009-12-17 US disclosed
WO-2009150109-A1 IMIDAZOLIDINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2009-12-17 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-20090312382-A1 NOVEL IMIDAZOLIDINE DERIVATIVES NR1H2, NR1H3, NR1D2 AKR1C3 844/4885CCR5 321/4885AKR1C1 680/4885

“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.