SCHEMBL13201450

SCHEMBL13201450

CC(C)(C)C(=O)OCN1Cc2ccc(OC(F)F)cc2C1=O

nearest known ligand 0.43

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ADAM17 P78536 13/20 0.43
TNF P01375 3/20 0.36
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
EZH2 Q15910 1/20 0.35
HDAC4 P56524 1/20 0.34
HDAC1 Q13547 1/20 0.34
HDAC6 Q9UBN7 1/20 0.34

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
SCHEMBL5955539 0.87 ADAM17 (0.53) ADAM17TNF
SCHEMBL10113044 0.84 ADAM17 (0.47) ADAM17TNF
SCHEMBL13218930 0.82 ADAM17 (0.41) ADAM17MEN1KMT2AHDAC4HDAC1
SCHEMBL13201464 0.78 ADAM17 (0.41) ADAM17MEN1KMT2AEZH2
SCHEMBL13201495 0.76 DRD2 (0.49) ADAM17TNFEZH2
SCHEMBL10200126 0.75 KMT2A (0.42) ADAM17MEN1KMT2A
SCHEMBL14467145 0.73 DDB1 (0.41) MEN1KMT2A
SCHEMBL14441884 0.72 ADAM17 (0.35) ADAM17TNF
SCHEMBL13201451 0.72 TNF (0.35) ADAM17TNF
SCHEMBL14467212 0.70 TNF (0.41) ADAM17TNF

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-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
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 ADAM17 13/4885TNF 5/4885MEN1 1598/4885
US-20070197564-A1 Compounds for the treatment of inflammatory disorders ADAMTS1, ADAMTS13, ADAMTS7 ADAM17 13/4885TNF 5/4885MEN1 1598/4885

“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.