SCHEMBL4641267

SCHEMBL4641267

NC(=O)c1[nH]c2cc(F)c(F)cc2c1C[CH]CO

nearest known ligand 0.40

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MAP2 P11137 8/20 0.40
PTGS2 P35354 3/20 0.33
PTGS1 P23219 1/20 0.33
MAPT P10636 1/20 0.33
MPO P05164 1/20 0.33
XDH P47989 1/20 0.33
PDE7A Q13946 1/20 0.31
PDE7B Q9NP56 1/20 0.31
EIF4A3 P38919 1/20 0.30

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
SCHEMBL4614532 0.84 MAP2 (0.52) MAP2PTGS2PTGS1MPO
SCHEMBL4640371 0.84 MAP2 (0.43) MAP2PTGS2PTGS1
SCHEMBL4644644 0.80 MAP2 (0.40) MAP2
SCHEMBL4615707 0.78 GPR17 (0.49) MAP2PTGS2
SCHEMBL4033965 0.77 MAP2 (0.50) MAP2MAPT
SCHEMBL4642042 0.76 FEN1 (0.37) MAP2MAPT
SCHEMBL31219036 0.72 MAP2 (0.47) MAP2PTGS2MAPTMPOXDH
SCHEMBL31219230 0.67 MAP2 (0.42) MAP2PTGS2MAPTMPOXDH
SCHEMBL5066580 0.64 NPSR1 (0.44) MAP2
SCHEMBL4042667 0.62 MAP2 (0.46) MAP2MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080207728-A1 BICYCLIC ACYLTRYPTOPHANOLS BAYER SCHERING PHARMA AG (DE) 2008-08-28 US claimed
US-20070060573-A1 Acyltryptophanols BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2007-03-15 US claimed
US-20080207728-A1 BICYCLIC ACYLTRYPTOPHANOLS BAYER SCHERING PHARMA AG (DE) 2008-08-28 US disclosed
EP-1956016-A1 Bicyclic acyltryptophanols Bayer Schering Pharma Aktiengesellschaft (DE) 2008-08-13 EP disclosed
WO-2008071455-A1 BICYCLIC ACYLTRYPTOPHANOLS BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2008-06-19 WO disclosed
US-20070060573-A1 Acyltryptophanols BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2007-03-15 US 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 (2 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-20080207728-A1 BICYCLIC ACYLTRYPTOPHANOLS FSHR, GNRHR, TPH1 MAP2 1805/4885PTGS2 3128/4885PTGS1 2754/4885
US-20070060573-A1 Acyltryptophanols FSHR, NPY1R, NPY2R MAP2 2645/4885PTGS2 2376/4885PTGS1 2306/4885

“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.