SCHEMBL13202467

SCHEMBL13202467

Nc1cccc(CNC(=O)O[C@H]2CCOC2)c1

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
BCHE P06276 13/20 0.53
IMPDH2 P12268 4/20 0.50
IMPDH1 P20839 1/20 0.50
CTSL P07711 1/20 0.43
MLNR O43193 1/20 0.42
ABCB11 O95342 1/20 0.42
LMNA P02545 1/20 0.42
CTSD P07339 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP3A5 P20815 1/20 0.42
CNR1 P21554 1/20 0.42
TBXAS1 P24557 1/20 0.42
ADRA1A P35348 1/20 0.42
HDAC3 O15379 1/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC2 Q92769 1/20 0.40

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
SCHEMBL12368240 0.87 IMPDH2 (0.51) BCHEIMPDH2IMPDH1CTSL
SCHEMBL14518603 0.86 IMPDH2 (0.52) BCHEIMPDH2IMPDH1CTSLLMNA
SCHEMBL19747754 0.85 BCHE (0.59) BCHEIMPDH2IMPDH1CTSL
SCHEMBL12368238 0.85 IMPDH2 (0.49) BCHEIMPDH2IMPDH1CTSLLMNA
SCHEMBL14543430 0.83 IMPDH2 (0.50) BCHEIMPDH2IMPDH1CTSLCTSD
SCHEMBL2969565 0.82 BCHE (0.53) BCHEIMPDH2IMPDH1
SCHEMBL2969563 0.82 BCHE (0.53) BCHEIMPDH2IMPDH1
SCHEMBL4947774 0.80 DDX3X (0.49) IMPDH2IMPDH1CYP3A4HDAC3HDAC1
SCHEMBL6893614 0.79 IMPDH2 (0.44) BCHEIMPDH2IMPDH1CTSLMLNR
SCHEMBL2972427 0.79 IMPDH2 (0.55) BCHEIMPDH2IMPDH1CTSL

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 10 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-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-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-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
US-20080021222-A1 Processes for preparing biaryl ureas and analogs thereof VERTEX PHARMACEUTICALS INCORPORATED 2008-01-24 US disclosed
US-7205324-B2 Inhibitors of IMPDH enzyme BRISTOL-MYERS SQUIBB COMPANY (US) 2007-04-17 US disclosed
US-7205324-B2 Inhibitors of IMPDH enzyme BRISTOL-MYERS SQUIBB COMPANY (US) 2007-04-17 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 BCHE 267/4885IMPDH2 2/4885IMPDH1 1/4885
US-20090221835-A1 PROCESSES FOR PREPARING BIARYL UREAS AND ANALOGS THEREOF IMPDH1, IMPDH2, UGDH BCHE 267/4885IMPDH2 2/4885IMPDH1 1/4885

“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.