SCHEMBL8273613

SCHEMBL8273613

CCOc1c(F)cccc1N1CCC(CNC(=O)OC(C)(C)C)CC1

nearest known ligand 0.54

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CKS1B P61024 2/20 0.54
SKP1 P63208 2/20 0.54
SKP2 Q13309 2/20 0.54
DRD2 P14416 2/20 0.52
ACACB O00763 9/20 0.45
ACACA Q13085 8/20 0.45
KDM4E B2RXH2 1/20 0.45
PKM P14618 1/20 0.45
F10 P00742 1/20 0.41
SCN9A Q15858 1/20 0.40
FGFR3 P22607 1/20 0.40
KDR P35968 1/20 0.40
NAMPT P43490 1/20 0.39

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
SCHEMBL8217776 0.90 DRD2 (0.51) CKS1BSKP1SKP2DRD2ACACB
SCHEMBL7093978 0.81 CKS1B (0.52) CKS1BSKP1SKP2DRD2ACACB
SCHEMBL12068751 0.79 CKS1B (0.51) CKS1BSKP1SKP2DRD2ACACB
SCHEMBL8224861 0.79 ADAM17 (0.44) DRD2KDM4EPKM
SCHEMBL3436642 0.78 CKS1B (0.59) CKS1BSKP1SKP2DRD2ACACB
SCHEMBL9984934 0.78 CKS1B (0.56) CKS1BSKP1SKP2DRD2ACACB
SCHEMBL3199650 0.77 CKS1B (0.58) CKS1BSKP1SKP2DRD2ACACB
SCHEMBL8214672 0.77 BPTF (0.42) DRD2KDM4EPKM
SCHEMBL12068465 0.76 CKS1B (0.48) CKS1BSKP1SKP2DRD2ACACB
SCHEMBL8222029 0.76 CKS1B (0.53) CKS1BSKP1SKP2DRD2ACACB

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-20070167426-A1 Compounds for the treatment of inflammatory disorders and microbial diseases SCHERING CORPORATION 2007-07-19 US disclosed
WO-2007064749-A1 COMPOUNDS FOR THE TREATMENT OF INFLAMMATORY DISORDERS AND MICROBIAL DISEASES SCHERING CORPORATION (US) 2007-06-07 WO disclosed
WO-2005121130-A2 CHEMICAL COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM FOR THE TREATMENT OF INFLAMMATORY DISORDERS SCHERING CORPORATION (US) 2005-12-22 WO 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 (2 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 CKS1B 4036/4885SKP1 1701/4885SKP2 4198/4885
US-20100145048-A1 COMPOUNDS FOR THE TREATMENT OF INFLAMMATORY DISORDERS TNF, MMP12, MMP8 CKS1B 2868/4885SKP1 3500/4885SKP2 3571/4885

“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.