SCHEMBL10113044

SCHEMBL10113044

[2H]C([2H])([2H])Oc1ccc2c(c1)C(=O)N(COC(=O)C(C)(C)C)C2

nearest known ligand 0.47

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ADAM17 P78536 17/20 0.47
TNF P01375 3/20 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
SCHEMBL5955539 0.92 ADAM17 (0.53) ADAM17TNF
SCHEMBL13201450 0.84 ADAM17 (0.43) ADAM17TNF
SCHEMBL13218930 0.82 ADAM17 (0.41) ADAM17
SCHEMBL13201495 0.81 DRD2 (0.49) ADAM17TNF
SCHEMBL10113050 0.78 ADAM17 (0.49) ADAM17TNF
SCHEMBL10200126 0.77 KMT2A (0.42) ADAM17
SCHEMBL13201490 0.74 PRMT5 (0.48)
SCHEMBL10200992 0.73 ADAM17 (0.60) ADAM17TNF
SCHEMBL8235144 0.71 ADAM17 (0.58) ADAM17TNF
SCHEMBL12150406 0.71 ADAM17 (0.65) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8541572-B2 Compounds for the treatment of inflammatory disorders MERCK SHARP & DOHME CORP. (US) 2013-09-24 US disclosed
US-20120010181-A1 COMPOUNDS FOR THE TREATMENT OF INFLAMMATORY DISORDERS MERCK SHARP & DOHME CORP. 2012-01-12 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 (1 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-20120010181-A1 COMPOUNDS FOR THE TREATMENT OF INFLAMMATORY DISORDERS TNF, ADAMTS1, ADAMTS7 ADAM17 7/4885TNF 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.