SCHEMBL8220169

SCHEMBL8220169

CC1(C)N(C(=O)[C@H](O)[C@@H](O)C(=O)NCc2ccc(-c3ccc(F)cc3C#N)cc2)CCS1(=O)=O

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ ADAM17 P78536 5/20 0.46
▸ HTR1A P08908 2/20 0.36
▸ DRD2 P14416 2/20 0.36
▸ HTR7 P34969 2/20 0.36
▸ HTR6 P50406 2/20 0.36
▸ ABL1 P00519 1/20 0.34
▸ KLKB1 P03952 1/20 0.34
▸ DPP4 P27487 1/20 0.33
▸ CHKA P35790 1/20 0.33
▸ WDR5 P61964 3/20 0.33
▸ ANPEP P15144 1/20 0.32
▸ CHRM4 P08173 1/20 0.32
▸ SCN5A Q14524 1/20 0.32
▸ SCN9A Q15858 1/20 0.32

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
SCHEMBL8274374 0.87 ADAM17 (0.36) ADAM17DPP4ANPEP
SCHEMBL8222060 0.82 ADAM17 (0.54) ADAM17HTR1ADRD2HTR7HTR6
SCHEMBL8221714 0.79 ADAM17 (0.49) ADAM17HTR1ADRD2HTR7HTR6
SCHEMBL8220591 0.79 ADAM17 (0.49) ADAM17HTR1ADRD2HTR7HTR6
SCHEMBL8215172 0.78 ADAM17 (0.51) ADAM17HTR1ADRD2HTR7HTR6
SCHEMBL13544251 0.77 ADAM17 (0.51) ADAM17
SCHEMBL8223426 0.77 ADAM17 (0.51) ADAM17
SCHEMBL8220596 0.76 ADAM17 (0.46) ADAM17HTR1ADRD2HTR7HTR6
SCHEMBL13542694 0.72 ADAM17 (0.57) ADAM17
SCHEMBL8220574 0.71 ADAM17 (0.69) ADAM17

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 ADAM17 4/4885HTR1A 4466/4885DRD2 4708/4885
US-20060178366-A1 Compounds for the treatment of inflammatory disorders MMP12, ADAMTS1, TNF ADAM17 11/4885HTR1A 4159/4885DRD2 4856/4885
US-20100145048-A1 COMPOUNDS FOR THE TREATMENT OF INFLAMMATORY DISORDERS TNF, MMP12, MMP8 ADAM17 7/4885HTR1A 4317/4885DRD2 4763/4885

“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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