SCHEMBL13201491

SCHEMBL13201491

COC(=O)NC(C#Cc1cccnc1)(CN1CCc2ccc(OC)cc2C1=O)C(=O)OC

nearest known ligand 0.55

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TNF P01375 14/20 0.55
ADAM17 P78536 2/20 0.47
ADAM10 O14672 1/20 0.47
MMP1 P03956 1/20 0.47
MMP2 P08253 1/20 0.47
MMP3 P08254 1/20 0.47
MMP9 P14780 1/20 0.47
MMP13 P45452 1/20 0.47
DRD2 P14416 1/20 0.37
DRD4 P21917 1/20 0.37
KMT2A Q03164 1/20 0.36
CYP19A1 P11511 1/20 0.35
HTR2C P28335 1/20 0.35

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
SCHEMBL13201487 0.94 TNF (0.48) TNFADAM17ADAM10MMP1MMP2
SCHEMBL13201371 0.92 ADAM17 (0.54) TNFADAM17ADAM10MMP1MMP2
SCHEMBL13201366 0.92 ADAM17 (0.54) TNFADAM17ADAM10MMP1MMP2
SCHEMBL13201500 0.85 ADAM17 (0.41) TNFADAM17DRD2DRD4
SCHEMBL13201458 0.85 ADAM17 (0.46) TNFADAM17ADAM10MMP1MMP2
SCHEMBL13201461 0.85 ADAM17 (0.46) TNFADAM17ADAM10MMP1MMP2
SCHEMBL13201492 0.83 DRD2 (0.41) TNFADAM17DRD2DRD4HTR2C
SCHEMBL14441702 0.82 TNF (0.47) TNFADAM17ADAM10MMP1MMP2
SCHEMBL13201493 0.81 DRD2 (0.43) TNFADAM17DRD2DRD4HTR2C
SCHEMBL13201499 0.79 ADAM17 (0.42) TNFADAM17DRD2DRD4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7772263-B2 Compounds for the treatment of inflammatory disorders SCHERING CORPORATION (US) 2010-08-10 US disclosed
US-7772263-B2 Compounds for the treatment of inflammatory disorders SCHERING CORPORATION (US) 2010-08-10 US disclosed
US-20090156586-A1 COMPOUNDS FOR THE TREATMENT OF INFLAMMATORY DISORDERS SCHERING CORPORATION 2009-06-18 US disclosed
US-7524842-B2 Compounds for the treatment of inflammatory disorders SCHERING CORPORATION (US) 2009-04-28 US disclosed
US-20070197564-A1 Compounds for the treatment of inflammatory disorders SCHERING CORPORATION 2007-08-23 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-20090156586-A1 COMPOUNDS FOR THE TREATMENT OF INFLAMMATORY DISORDERS ADAMTS1, ADAMTS13, ADAMTS7 TNF 5/4885ADAM17 13/4885ADAM10 17/4885
US-20070197564-A1 Compounds for the treatment of inflammatory disorders ADAMTS1, ADAMTS13, ADAMTS7 TNF 5/4885ADAM17 13/4885ADAM10 17/4885

“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.