SCHEMBL8217829

SCHEMBL8217829

N#Cc1cc(F)ccc1N1C[C@@H]2C(CNC(=O)[C@H](O)[C@@H](O)C(=O)N3CCCC3)[C@@H]2C1

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ ADAM17 P78536 6/20 0.56
▸ DPP4 P27487 3/20 0.43
▸ DPP8 Q6V1X1 3/20 0.43
▸ DPP9 Q86TI2 2/20 0.43
▸ CHRM4 P08173 2/20 0.39
▸ FPR1 P21462 4/20 0.34
▸ FPR2 P25090 4/20 0.34
▸ DPP7 Q9UHL4 1/20 0.34
▸ CSF1R P07333 1/20 0.34
▸ KDM1A O60341 1/20 0.33
▸ SCN5A Q14524 1/20 0.33
▸ SCN9A Q15858 1/20 0.33
▸ F10 P00742 1/20 0.33
▸ FFAR4 Q5NUL3 1/20 0.33

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
SCHEMBL8275317 0.87 ADAM17 (0.45) ADAM17DPP4DPP7
SCHEMBL8221438 0.86 ADAM17 (0.53) ADAM17DPP4DPP8DPP9CHRM4
SCHEMBL8273348 0.86 ADAM17 (0.53) ADAM17DPP4DPP8DPP9CHRM4
SCHEMBL8213698 0.85 ADAM17 (0.53) ADAM17DPP4DPP8DPP9CHRM4
SCHEMBL8221453 0.84 ADAM17 (0.53) ADAM17DPP4DPP8DPP9CHRM4
SCHEMBL8222061 0.83 ADAM17 (0.59) ADAM17DPP4DPP8DPP9CHRM4
SCHEMBL8414544 0.78 ADAM17 (0.46) ADAM17DPP4DPP8DPP9CHRM4
SCHEMBL8223432 0.78 ADAM17 (0.49) ADAM17CHRM4SCN5ASCN9AFFAR4
SCHEMBL8417459 0.78 ADAM17 (0.47) ADAM17DPP4DPP8DPP9CHRM4
SCHEMBL8213711 0.78 ADAM17 (0.49) ADAM17DPP4DPP8DPP9CHRM4

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 11 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-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 ADAM17 4/4885DPP4 405/4885DPP8 620/4885
US-20060178366-A1 Compounds for the treatment of inflammatory disorders MMP12, ADAMTS1, TNF ADAM17 11/4885DPP4 624/4885DPP8 647/4885
US-20100145048-A1 COMPOUNDS FOR THE TREATMENT OF INFLAMMATORY DISORDERS TNF, MMP12, MMP8 ADAM17 7/4885DPP4 417/4885DPP8 422/4885

“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.

Send feedback