SCHEMBL10112700

SCHEMBL10112700

CN[C@](C#Cc1cncc(-c2csc(N)n2)c1)(CN1Cc2ccc(OC)cc2C1=O)C(=O)OC

nearest known ligand 0.61

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TNF P01375 19/20 0.61
ADAM10 O14672 1/20 0.37
MMP1 P03956 1/20 0.37
MMP2 P08253 1/20 0.37
MMP3 P08254 1/20 0.37
MMP9 P14780 1/20 0.37
MMP13 P45452 1/20 0.37
ADAM17 P78536 1/20 0.37

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
SCHEMBL15267875 0.93 TNF (0.60) TNFADAM10MMP1MMP2MMP3
SCHEMBL10112716 0.86 TNF (0.47) TNFADAM10MMP1MMP2MMP3
SCHEMBL15267864 0.79 TNF (0.46) TNFADAM10MMP1MMP2MMP3
SCHEMBL13201374 0.77 TNF (0.46) TNFADAM17
SCHEMBL10131849 0.77 TNF (0.58) TNF
SCHEMBL13362709 0.76 TNF (0.51) TNFADAM17
SCHEMBL10112702 0.76 TNF (1.00) TNFADAM10MMP1MMP2MMP3
SCHEMBL10112111 0.76 ADAM17 (0.44) TNFADAM17
SCHEMBL13201371 0.74 ADAM17 (0.54) TNFADAM10MMP1MMP2MMP3
SCHEMBL13201366 0.74 ADAM17 (0.54) TNFADAM10MMP1MMP2MMP3

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 TNF 1/4885ADAM10 10/4885MMP1 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.