SCHEMBL8224705

SCHEMBL8224705

C#CC(=O)C1c2ccc(Cl)cc2CCN1B(C)O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 2/20 0.39
MMP12 P39900 2/20 0.37
MMP1 P03956 1/20 0.37
MMP2 P08253 1/20 0.37
MMP7 P09237 1/20 0.37
MMP9 P14780 1/20 0.37
MMP14 P50281 1/20 0.37
MMP15 P51511 1/20 0.37
MMP16 P51512 1/20 0.37
MMP26 Q9NRE1 1/20 0.37
SRD5A1 P18405 3/20 0.35
SRD5A2 P31213 2/20 0.35
XIAP P98170 2/20 0.35
TRPV1 Q8NER1 1/20 0.34
HTR2A P28223 1/20 0.34
HTR2C P28335 1/20 0.34
HTR2B P41595 1/20 0.34
FNTA P49354 2/20 0.34
FNTB P49356 2/20 0.34
AKR1C3 P42330 2/20 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
SCHEMBL12216859 0.86 NOTUM (0.42) NOTUMMMP12MMP1MMP2MMP7
SCHEMBL8224587 0.80 TRPV1 (0.37) NOTUMMMP12MMP1MMP2MMP7
SCHEMBL8417698 0.75 GHSR (0.52) FNTAFNTB
SCHEMBL8222663 0.68 FNTA (0.36) NOTUMTRPV1HTR2AHTR2CHTR2B
SCHEMBL18084398 0.67 ACE (0.51) AKR1C3
SCHEMBL19960915 0.65 MAPK1 (0.44) NOTUMMMP12MMP1MMP2MMP7
SCHEMBL8225732 0.63 SLC6A15 (0.45) TRPV1FNTAFNTB
SCHEMBL8222646 0.63 SLC6A15 (0.45) NOTUMTRPV1FNTAFNTB
SCHEMBL8224318 0.63 GHSR (0.54) FNTAFNTB
SCHEMBL16939966 0.62 MMP12 (0.40) NOTUMMMP12MMP1MMP2MMP7

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 NOTUM 1088/4885MMP12 1/4885MMP1 37/4885
US-20060178366-A1 Compounds for the treatment of inflammatory disorders MMP12, ADAMTS1, TNF NOTUM 1457/4885MMP12 1/4885MMP1 31/4885
US-20100145048-A1 COMPOUNDS FOR THE TREATMENT OF INFLAMMATORY DISORDERS TNF, MMP12, MMP8 NOTUM 793/4885MMP12 2/4885MMP1 26/4885

“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.