SCHEMBL8224171

SCHEMBL8224171

[C-]#[N+]c1cc(F)ccc1N1CCC(CNC(=O)[C@H](N)[C@@H](O)C(=O)N2CCCC2)CC1

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ ADAM17 P78536 1/20 0.37
▸ DPP4 P27487 1/20 0.36
▸ KCNH2 Q12809 1/20 0.36
▸ DPP7 Q9UHL4 1/20 0.36
▸ KMT2A Q03164 3/20 0.34
▸ MEN1 O00255 2/20 0.33
▸ ALDH1A1 P00352 2/20 0.33
▸ HTT P42858 1/20 0.33
▸ NPY5R Q15761 1/20 0.33
▸ RPS6KB1 P23443 2/20 0.33
▸ SCN5A Q14524 1/20 0.33
▸ SCN9A Q15858 1/20 0.33
▸ NAMPT P43490 1/20 0.33
▸ RORC P51449 2/20 0.33
▸ NPC1 O15118 1/20 0.32
▸ RAB9A P51151 1/20 0.32
▸ TRPA1 O75762 2/20 0.32
▸ CTSS P25774 1/20 0.32
▸ TDP1 Q9NUW8 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
SCHEMBL8215451 0.93 ADAM17 (0.38) ADAM17DPP4KCNH2DPP7KMT2A
SCHEMBL8414544 0.85 ADAM17 (0.46) ADAM17DPP4KCNH2DPP7RPS6KB1
SCHEMBL8273310 0.80 GAA (0.44) ADAM17DPP4KCNH2DPP7KMT2A
SCHEMBL8273592 0.79 HTT (0.46) ADAM17DPP4KCNH2DPP7KMT2A
SCHEMBL8273591 0.78 ADAM17 (0.43) ADAM17DPP4KCNH2DPP7KMT2A
SCHEMBL8417459 0.78 ADAM17 (0.47) ADAM17DPP4KCNH2DPP7RPS6KB1
SCHEMBL8273348 0.76 ADAM17 (0.53) ADAM17DPP4RPS6KB1SCN5ASCN9A
SCHEMBL8221438 0.76 ADAM17 (0.53) ADAM17DPP4RPS6KB1SCN5ASCN9A
SCHEMBL8213698 0.76 ADAM17 (0.53) ADAM17DPP4RPS6KB1SCN5ASCN9A
SCHEMBL8223561 0.75 ADRA1A (0.47) ADAM17ALDH1A1

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 6 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-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-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

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 405/4885KCNH2 4293/4885
US-20060178366-A1 Compounds for the treatment of inflammatory disorders MMP12, ADAMTS1, TNF ADAM17 11/4885DPP4 624/4885KCNH2 4351/4885
US-20100145048-A1 COMPOUNDS FOR THE TREATMENT OF INFLAMMATORY DISORDERS TNF, MMP12, MMP8 ADAM17 7/4885DPP4 417/4885KCNH2 4544/4885

“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