SCHEMBL2974342

SCHEMBL2974342

O=C(Nc1cccc(CNC(=O)OC2CCOC2)c1)Oc1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
IMPDH2 P12268 4/20 0.55
IMPDH1 P20839 1/20 0.55
CTSL P07711 1/20 0.46
ALDH1A1 P00352 2/20 0.44
HTT P42858 1/20 0.44
CYP1A2 P05177 1/20 0.44
BCHE P06276 3/20 0.42
MAOB P27338 1/20 0.42
MAPT P10636 1/20 0.42
FAAH O00519 1/20 0.41
MGLL Q99685 1/20 0.41

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
SCHEMBL2972427 1.00 IMPDH2 (0.55) IMPDH2IMPDH1CTSLALDH1A1HTT
SCHEMBL19747754 0.82 BCHE (0.59) IMPDH2IMPDH1CTSLBCHE
SCHEMBL12368238 0.80 IMPDH2 (0.49) IMPDH2IMPDH1CTSLBCHE
SCHEMBL12368240 0.80 IMPDH2 (0.51) IMPDH2IMPDH1CTSLBCHE
SCHEMBL13202467 0.79 BCHE (0.53) IMPDH2IMPDH1CTSLBCHE
SCHEMBL14518603 0.79 IMPDH2 (0.52) IMPDH2IMPDH1CTSLALDH1A1BCHE
SCHEMBL12368233 0.77 IMPDH2 (0.82) IMPDH2IMPDH1
SCHEMBL14543430 0.76 IMPDH2 (0.50) IMPDH2IMPDH1CTSLBCHE
SCHEMBL2969565 0.75 BCHE (0.53) IMPDH2IMPDH1ALDH1A1BCHEMAPT
SCHEMBL2969563 0.75 BCHE (0.53) IMPDH2IMPDH1ALDH1A1BCHEMAPT

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-7777048-B2 Processes for preparing biaryl ureas and analogs thereof VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-08-17 US disclosed
US-20090221835-A1 PROCESSES FOR PREPARING BIARYL UREAS AND ANALOGS THEREOF VERTEX PHARMACEUTICALS INCORPORATED 2009-09-03 US disclosed
US-7544810-B2 Processes for preparing biaryl ureas and analogs thereof VERTEX PHARMACEUTICALS INCORPORATED (US) 2009-06-09 US disclosed
US-20080021222-A1 Processes for preparing biaryl ureas and analogs thereof VERTEX PHARMACEUTICALS INCORPORATED 2008-01-24 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-20080021222-A1 Processes for preparing biaryl ureas and analogs thereof IMPDH1, IMPDH2, UGDH IMPDH2 2/4885IMPDH1 1/4885CTSL 2683/4885
US-20090221835-A1 PROCESSES FOR PREPARING BIARYL UREAS AND ANALOGS THEREOF IMPDH1, IMPDH2, UGDH IMPDH2 2/4885IMPDH1 1/4885CTSL 2683/4885

“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.