SCHEMBL533786

SCHEMBL533786

Cc1cc(OS(=O)(=O)C(F)(F)F)ccc1C1CN(C(=O)O)CCC1=O

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 11/20 0.37
DRD3 P35462 11/20 0.37
DRD4 P21917 4/20 0.37
DRD1 P21728 3/20 0.37
DRD5 P21918 3/20 0.37
HSD11B1 P28845 1/20 0.36
HTR1D P28221 1/20 0.34
PRKD3 O94806 1/20 0.34
S1PR1 P21453 1/20 0.34
CDK7 P50613 1/20 0.34
JAK3 P52333 1/20 0.34
TNK2 Q07912 1/20 0.34
S1PR5 Q9H228 1/20 0.34
CHRM1 P11229 1/20 0.33

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
SCHEMBL556212 0.89 MMP1 (0.37)
SCHEMBL1804229 0.80 CA12 (0.36)
SCHEMBL556469 0.78 ESR1 (0.37) DRD1
SCHEMBL2121244 0.77 ESR1 (0.40) DRD2DRD3DRD4DRD1DRD5
SCHEMBL2121245 0.73 DRD2 (0.38) DRD2DRD3DRD4DRD1DRD5
SCHEMBL7974143 0.72 ESR1 (0.51) DRD2DRD3
SCHEMBL19859319 0.71 DRD2 (0.44) DRD2DRD3DRD4DRD1DRD5
SCHEMBL11898659 0.71 REN (0.41) DRD2DRD3DRD4DRD1DRD5
SCHEMBL5156097 0.70 NR1H2 (0.41)
SCHEMBL3843083 0.69 ESR2 (0.57) DRD2DRD3

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-20120035214-A1 RENIN INHIBITORS MERCK CANADA INC. (CA) 2012-02-09 US disclosed
EP-2413941-A1 RENIN INHIBITORS Merck Sharp & Dohme Corp. (US) 2012-02-08 EP disclosed
WO-2010114978-A1 RENIN INHIBITORS MERCK SHARP & DOHME CORP. (US) 2010-10-07 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-20120035214-A1 RENIN INHIBITORS REN, ACE, AGTR1 DRD2 2069/4885DRD3 1417/4885DRD4 2913/4885

“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.