SCHEMBL8197296

SCHEMBL8197296

CC(C)(C)OC(=O)NCc1cc2c(c(F)c1F)OCC(=O)N2

nearest known ligand 0.39

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.39
CREBBP Q92793 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
RPS6KA1 Q15418 1/20 0.38
ADRB2 P07550 6/20 0.38
ADRB1 P08588 3/20 0.37
NR3C2 P08235 1/20 0.36
PARP1 P09874 1/20 0.36
DRD2 P14416 1/20 0.35

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
SCHEMBL8202876 0.88 ADRB2 (0.37) ADRB2ADRB1NR3C2
SCHEMBL8195296 0.83 BRD4 (0.43) BRD4CREBBPL3MBTL1ADRB2ADRB1
SCHEMBL8189703 0.83 L3MBTL1 (0.41) BRD4CREBBPL3MBTL1NR3C2DRD2
SCHEMBL8189655 0.82 L3MBTL1 (0.38) BRD4CREBBPL3MBTL1RPS6KA1ADRB2
SCHEMBL8189695 0.80 ADRB2 (0.36) ADRB2ADRB1NR3C2
SCHEMBL8200742 0.79 NR3C2 (0.50) BRD4CREBBPL3MBTL1ADRB2ADRB1
SCHEMBL8196981 0.79 PARP1 (0.40) BRD4CREBBPL3MBTL1RPS6KA1NR3C2
SCHEMBL8202568 0.79 RPS6KA1 (0.39) BRD4CREBBPL3MBTL1RPS6KA1ADRB2
SCHEMBL14080051 0.79 IL4I1 (0.39) ADRB2ADRB1NR3C2PARP1
SCHEMBL13181783 0.76 PARP1 (0.37) ADRB2ADRB1NR3C2PARP1

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7713966-B2 Heterobicyclic metalloprotease inhibitors ALANTOS PHARMACEUTICALS HOLDING, INC. (US) 2010-05-11 US disclosed
US-7713966-B2 Heterobicyclic metalloprotease inhibitors ALANTOS PHARMACEUTICALS HOLDING, INC. (US) 2010-05-11 US disclosed
US-20080261968-A1 Heterobicyclic metalloprotease inhibitors GEGE CHRISTIAN 2008-10-23 US disclosed
US-20080261968-A1 Heterobicyclic metalloprotease inhibitors GEGE CHRISTIAN 2008-10-23 US disclosed
WO-2008109181-A2 METALLOPROTEASE INHIBITORS CONTAINING A HETEROCYCLIC MOIETY ALANTOS PHARMACEUTICALS HOLDING, INC. (US) 2008-09-12 WO disclosed
WO-2008109180-A2 METALLOPROTEASE INHIBITORS CONTAINING A HETEROCYCLIC MOIETY ALANTOS PHARMACEUTICALS HOLDING, INC. (US) 2008-09-12 WO disclosed
US-20080221093-A1 Metalloprotease inhibitors containing a heterocyclic moiety ALANTOS PHARMACEUTICALS HOLDING, INC. 2008-09-11 US disclosed
US-20080221093-A1 Metalloprotease inhibitors containing a heterocyclic moiety ALANTOS PHARMACEUTICALS HOLDING, INC. 2008-09-11 US disclosed
US-20080221095-A1 Metalloprotease inhibitors containing a heterocyclic moiety ALANTOS PHARMACEUTICALS HOLDING, INC. 2008-09-11 US disclosed
US-20080221095-A1 Metalloprotease inhibitors containing a heterocyclic moiety ALANTOS PHARMACEUTICALS HOLDING, INC. 2008-09-11 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-20080221093-A1 Metalloprotease inhibitors containing a heterocyclic moiety MMP12, MMP13, MMP25 BRD4 256/4885CREBBP 2453/4885L3MBTL1 4791/4885
US-20080221095-A1 Metalloprotease inhibitors containing a heterocyclic moiety MMP13, MMP11, MMP3 BRD4 380/4885CREBBP 3476/4885L3MBTL1 4720/4885
US-20080261968-A1 Heterobicyclic metalloprotease inhibitors MMP13, TIMP3, MMP3 BRD4 338/4885CREBBP 3053/4885L3MBTL1 4564/4885

“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.