SCHEMBL10131673

SCHEMBL10131673

COc1ccc2c(c1)C(=O)N(C[C@@]1(C#Cc3cc(N)[nH]n3)NC(=O)NC1=O)C2

nearest known ligand 0.71

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ADAM17 P78536 8/20 0.71
TNF P01375 12/20 0.70
ADAM10 O14672 1/20 0.66
MMP1 P03956 1/20 0.66
MMP2 P08253 1/20 0.66
MMP3 P08254 1/20 0.66
MMP9 P14780 1/20 0.66
MMP13 P45452 1/20 0.66

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
SCHEMBL10113116 0.87 TNF (0.78) ADAM17TNFADAM10MMP1MMP2
SCHEMBL10131312 0.87 TNF (0.78) ADAM17TNF
SCHEMBL13200587 0.84 ADAM17 (0.74) ADAM17TNFADAM10MMP1MMP2
SCHEMBL8232563 0.84 ADAM17 (0.89) ADAM17TNF
SCHEMBL13200912 0.84 ADAM17 (1.00) ADAM17TNF
SCHEMBL13200242 0.83 TNF (0.79) ADAM17TNFADAM10MMP1MMP2
SCHEMBL13200561 0.83 ADAM17 (0.73) ADAM17TNFADAM10MMP1MMP2
SCHEMBL13200474 0.83 ADAM17 (0.73) ADAM17TNFADAM10MMP1MMP2
SCHEMBL5956344 0.83 ADAM17 (0.81) ADAM17TNFADAM10MMP1MMP2
SCHEMBL13200274 0.83 ADAM17 (0.76) ADAM17TNFADAM10MMP1MMP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 1/4885ADAM10 10/4885

“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.