SCHEMBL13201487

SCHEMBL13201487

COC(=O)NC(C#Cc1cccnc1)(CN1CCc2cc(OC)ccc2C1=O)C(=O)OC

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TNF P01375 1/20 0.48
ADAM10 O14672 1/20 0.42
MMP1 P03956 1/20 0.42
MMP2 P08253 1/20 0.42
MMP3 P08254 1/20 0.42
MMP9 P14780 1/20 0.42
MMP13 P45452 1/20 0.42
ADAM17 P78536 1/20 0.42
MIF P14174 1/20 0.40
PRMT5 O14744 2/20 0.36
WDR77 Q9BQA1 2/20 0.36
KDM4E B2RXH2 1/20 0.36
LMNA P02545 1/20 0.36
TSHR P16473 1/20 0.36
HSD17B10 Q99714 1/20 0.36
KMT2A Q03164 1/20 0.36
AOC3 Q16853 4/20 0.36
CYP19A1 P11511 2/20 0.35
CYP11B1 P15538 2/20 0.35
CYP11B2 P19099 2/20 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
SCHEMBL13201491 0.94 TNF (0.55) TNFADAM10MMP1MMP2MMP3
SCHEMBL13201366 0.87 ADAM17 (0.54) TNFADAM10MMP1MMP2MMP3
SCHEMBL13201371 0.87 ADAM17 (0.54) TNFADAM10MMP1MMP2MMP3
SCHEMBL13201489 0.83 AOC3 (0.40) PRMT5WDR77AOC3ITGB3ITGA2B
SCHEMBL14441546 0.82 MIF (0.43) TNFMIFPRMT5WDR77KDM4E
SCHEMBL8227926 0.81 AOC3 (0.44) PRMT5WDR77AOC3ITGB3ITGA2B
SCHEMBL13201458 0.80 ADAM17 (0.46) TNFADAM10MMP1MMP2MMP3
SCHEMBL13201461 0.80 ADAM17 (0.46) TNFADAM10MMP1MMP2MMP3
SCHEMBL13201500 0.78 ADAM17 (0.41) TNFADAM17ITGB3ITGA2B
SCHEMBL13201492 0.77 DRD2 (0.41) TNFADAM17ITGB3ITGA2B

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-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 5/4885ADAM10 17/4885MMP1 22/4885
US-20070197564-A1 Compounds for the treatment of inflammatory disorders ADAMTS1, ADAMTS13, ADAMTS7 TNF 5/4885ADAM10 17/4885MMP1 22/4885

“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.