SCHEMBL8217374

SCHEMBL8217374

[C-]#[N+]c1ccccc1N1CC(CNC(=O)[C@H](O)[C@@H](O)C(=O)N2Cc3ccccc3C2)C1

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ ADAM17 P78536 10/20 0.45
▸ NAMPT P43490 5/20 0.38
▸ MTNR1A P48039 3/20 0.35
▸ MTNR1B P49286 3/20 0.35
▸ ADAM10 O14672 1/20 0.35
▸ MMP12 P39900 1/20 0.35
▸ MMP13 P45452 1/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ DPP8 Q6V1X1 1/20 0.34
▸ DPP9 Q86TI2 1/20 0.34
▸ DPP7 Q9UHL4 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
SCHEMBL8220831 0.90 ADAM17 (0.46) ADAM17NAMPTMTNR1AMTNR1BADAM10
SCHEMBL8275947 0.85 ADAM17 (0.47) ADAM17NAMPTMTNR1AMTNR1BADAM10
SCHEMBL8223637 0.83 NAMPT (0.39) NAMPTMTNR1AMTNR1BMEN1KMT2A
SCHEMBL8276637 0.83 ADAM17 (0.53) ADAM17NAMPTMTNR1AMTNR1B
SCHEMBL8276994 0.81 NAMPT (0.49) ADAM17NAMPTMEN1KMT2ADPP8
SCHEMBL8213511 0.79 ADAM17 (0.43) ADAM17NAMPTADAM10MMP12MMP13
SCHEMBL8213993 0.78 ADAM17 (0.47) ADAM17NAMPTMEN1KMT2A
SCHEMBL8275600 0.77 ADAM17 (0.45) ADAM17NAMPTADAM10MMP12MMP13
SCHEMBL8213997 0.77 NAMPT (0.37) ADAM17NAMPTMTNR1AMTNR1BMEN1
SCHEMBL8213991 0.76 ADAM17 (0.55) ADAM17NAMPTMEN1KMT2A

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 4/4885NAMPT 537/4885MTNR1A 1058/4885
US-20060178366-A1 Compounds for the treatment of inflammatory disorders MMP12, ADAMTS1, TNF ADAM17 11/4885NAMPT 451/4885MTNR1A 714/4885
US-20100145048-A1 COMPOUNDS FOR THE TREATMENT OF INFLAMMATORY DISORDERS TNF, MMP12, MMP8 ADAM17 7/4885NAMPT 611/4885MTNR1A 1135/4885

“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