SCHEMBL12216042

SCHEMBL12216042

N#Cc1cc(F)ccc1N1CCC(CNC(=S)[C@H](O)[C@@H](O)C(=S)N2CCCC2)CC1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ CHRM4 P08173 4/20 0.43
▸ ADAM17 P78536 1/20 0.39
▸ FFAR4 Q5NUL3 1/20 0.36
▸ DPP4 P27487 1/20 0.34
▸ DPP8 Q6V1X1 1/20 0.34
▸ DPP9 Q86TI2 1/20 0.34
▸ USP30 Q70CQ3 3/20 0.33
▸ MTOR P42345 2/20 0.33
▸ RPTOR Q8N122 2/20 0.33
▸ MLST8 Q9BVC4 2/20 0.33
▸ RPS6KB1 P23443 2/20 0.33
▸ CSF1R P07333 1/20 0.32
▸ GPR6 P46095 1/20 0.32
▸ PDPK1 O15530 1/20 0.32
▸ LDHA P00338 1/20 0.32
▸ CHRNA7 P36544 1/20 0.31
▸ SMN1; SMN2 Q16637 1/20 0.31

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
SCHEMBL8220351 0.91 CHRM4 (0.46) CHRM4ADAM17FFAR4DPP4DPP8
SCHEMBL8220211 0.91 ADAM17 (0.48) CHRM4ADAM17FFAR4DPP4DPP8
SCHEMBL8273348 0.81 ADAM17 (0.53) CHRM4ADAM17FFAR4DPP4DPP8
SCHEMBL8221438 0.81 ADAM17 (0.53) CHRM4ADAM17FFAR4DPP4DPP8
SCHEMBL8213698 0.80 ADAM17 (0.53) CHRM4ADAM17FFAR4DPP4DPP8
SCHEMBL8221453 0.79 ADAM17 (0.53) CHRM4ADAM17FFAR4DPP4DPP8
SCHEMBL8414544 0.79 ADAM17 (0.46) CHRM4ADAM17FFAR4DPP4DPP8
SCHEMBL8417459 0.79 ADAM17 (0.47) CHRM4ADAM17FFAR4DPP4DPP8
SCHEMBL16357752 0.79 CHRM4 (0.46) CHRM4ADAM17FFAR4DPP4DPP8
SCHEMBL8274678 0.77 ADAM17 (0.39) CHRM4ADAM17RPS6KB1

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-8039467-B2 Compounds for the treatment of inflammatory disorders SCHERING CORPORATION (US) 2011-10-18 — — US disclosed
US-8039467-B2 Compounds for the treatment of inflammatory disorders SCHERING CORPORATION (US) 2011-10-18 — — US disclosed
US-20100145048-A1 COMPOUNDS FOR THE TREATMENT OF INFLAMMATORY DISORDERS SCHERING CORPORATION 2010-06-10 — — US disclosed
US-20100145048-A1 COMPOUNDS FOR THE TREATMENT OF INFLAMMATORY DISORDERS SCHERING CORPORATION 2010-06-10 — — 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-20100145048-A1 COMPOUNDS FOR THE TREATMENT OF INFLAMMATORY DISORDERS TNF, MMP12, MMP8 CHRM4 4358/4885ADAM17 7/4885FFAR4 1427/4885

“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.

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