SCHEMBL8220351

SCHEMBL8220351

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

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ CHRM4 P08173 4/20 0.46
▸ ADAM17 P78536 4/20 0.44
▸ FFAR4 Q5NUL3 1/20 0.38
▸ DPP4 P27487 1/20 0.37
▸ DPP8 Q6V1X1 1/20 0.37
▸ DPP9 Q86TI2 1/20 0.37
▸ USP30 Q70CQ3 2/20 0.36
▸ RPS6KB1 P23443 2/20 0.35
▸ MTOR P42345 1/20 0.35
▸ RPTOR Q8N122 1/20 0.35
▸ MLST8 Q9BVC4 1/20 0.35
▸ CSF1R P07333 1/20 0.35
▸ KMT2A Q03164 2/20 0.35
▸ CTSS P25774 1/20 0.34
▸ LDHA P00338 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
SCHEMBL12216042 0.91 CHRM4 (0.43) CHRM4ADAM17FFAR4DPP4DPP8
SCHEMBL8221438 0.91 ADAM17 (0.53) CHRM4ADAM17FFAR4DPP4DPP8
SCHEMBL8273348 0.91 ADAM17 (0.53) CHRM4ADAM17FFAR4DPP4DPP8
SCHEMBL8213698 0.90 ADAM17 (0.53) CHRM4ADAM17FFAR4DPP4DPP8
SCHEMBL8221453 0.89 ADAM17 (0.53) CHRM4ADAM17FFAR4DPP4DPP8
SCHEMBL8274681 0.87 GAA (0.43) ADAM17DPP4RPS6KB1KMT2ACTSS
SCHEMBL8414544 0.86 ADAM17 (0.46) CHRM4ADAM17FFAR4DPP4DPP8
SCHEMBL8220211 0.85 ADAM17 (0.48) CHRM4ADAM17FFAR4DPP4DPP8
SCHEMBL8417459 0.85 ADAM17 (0.47) CHRM4ADAM17FFAR4DPP4DPP8
SCHEMBL8218105 0.84 ADAM17 (0.44) CHRM4ADAM17FFAR4DPP4DPP8

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 12 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
US-7652020-B2 novel hydantoin derivatives to inhibit matrix metalloproteinases (MMPs), a disintegrin and metalloproteases (ADAMs) and/or tumor necrosis factor alpha converting enzyme (TACE) and in so doing prevent the release of tumor necrosis factor alpha (TNF- alpha ); autoimmune diseases; side effect reduction SCHERING CORPORATION (US) 2010-01-26 — — US disclosed
US-7652020-B2 novel hydantoin derivatives to inhibit matrix metalloproteinases (MMPs), a disintegrin and metalloproteases (ADAMs) and/or tumor necrosis factor alpha converting enzyme (TACE) and in so doing prevent the release of tumor necrosis factor alpha (TNF- alpha ); autoimmune diseases; side effect reduction SCHERING CORPORATION (US) 2010-01-26 — — US disclosed
US-7638513-B2 Compounds for the treatment of inflammatory disorders SCHERING CORPORATION (US) 2009-12-29 — — US disclosed
US-7638513-B2 Compounds for the treatment of inflammatory disorders SCHERING CORPORATION (US) 2009-12-29 — — US disclosed
US-20070167426-A1 Compounds for the treatment of inflammatory disorders and microbial diseases SCHERING CORPORATION 2007-07-19 — — US disclosed
US-20070167426-A1 Compounds for the treatment of inflammatory disorders and microbial diseases SCHERING CORPORATION 2007-07-19 — — US disclosed
US-20060178366-A1 Compounds for the treatment of inflammatory disorders SCHERING CORPORATION 2006-08-10 — — US disclosed
US-20060178366-A1 Compounds for the treatment of inflammatory disorders SCHERING CORPORATION 2006-08-10 — — 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 (3 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-20070167426-A1 Compounds for the treatment of inflammatory disorders and microbial diseases MMP12, ADAMTS1, ADAM33 CHRM4 4627/4885ADAM17 4/4885FFAR4 1905/4885
US-20060178366-A1 Compounds for the treatment of inflammatory disorders MMP12, ADAMTS1, TNF CHRM4 4566/4885ADAM17 11/4885FFAR4 1992/4885
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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