SCHEMBL8190800

SCHEMBL8190800

CC(C)(C)OC(=O)NCc1ccc2c(c1)-n1c(noc1=O)CO2

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 5/20 0.51
CYP3A4 P08684 3/20 0.51
TP53 P04637 2/20 0.51
PKM P14618 1/20 0.51
NPR1 P16066 1/20 0.51
TSHR P16473 1/20 0.51
BLM P54132 1/20 0.51
TDP1 Q9NUW8 1/20 0.51
CYP2D6 P10635 4/20 0.41
NAMPT P43490 2/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
L3MBTL1 Q9Y468 2/20 0.38
CYP2C19 P33261 2/20 0.38
BRD4 O60885 2/20 0.37
HDAC1 Q13547 1/20 0.37
HDAC6 Q9UBN7 1/20 0.37
TAS2R8 Q9NYW2 1/20 0.37
CYP2C9 P11712 1/20 0.36
POLB P06746 1/20 0.36
GRM2 Q14416 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
SCHEMBL8251960 0.79 CYP1A2 (0.46) CYP1A2CYP3A4TP53CYP2D6NAMPT
SCHEMBL8203533 0.79 SMN1; SMN2 (0.43) CYP1A2CYP3A4CYP2D6NAMPTSMN1; SMN2
SCHEMBL13377645 0.79 BRD4 (0.45) CYP1A2CYP3A4TSHRCYP2D6NAMPT
SCHEMBL10165136 0.79 CYP1A2 (0.53) CYP1A2CYP3A4TP53TSHRCYP2D6
SCHEMBL10165138 0.77 CYP1A2 (0.44) CYP1A2CYP3A4TP53CYP2D6NAMPT
SCHEMBL8199087 0.76 NAMPT (0.41) CYP1A2CYP3A4TP53CYP2D6NAMPT
SCHEMBL7270138 0.74 KMO (0.56) CYP1A2CYP3A4TP53TSHRCYP2D6
SCHEMBL14078763 0.74 NAMPT (0.40) CYP1A2CYP3A4TP53TDP1CYP2D6
SCHEMBL7278244 0.74 CYP3A4 (0.54) CYP1A2CYP3A4TP53TSHRCYP2D6
SCHEMBL8182098 0.74 NAMPT (0.40) CYP1A2CYP3A4TP53CYP2D6NAMPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7691851-B2 Metalloprotease inhibitors containing a heterocyclic moiety ALANTOS PHARMACEUTICALS HOLDING, INC. (US) 2010-04-06 US disclosed
US-7691851-B2 Metalloprotease inhibitors containing a heterocyclic moiety ALANTOS PHARMACEUTICALS HOLDING, INC. (US) 2010-04-06 US disclosed
WO-2008109177-A2 METALLOPROTEASE INHIBITORS CONTAINING A HETEROCYCLIC MOIETY ALANTOS PHARMACEUTICALS HOLDING, INC. (US) 2008-09-12 WO 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-20080221091-A1 Metalloprotease inhibitors containing a heterocyclic moiety ALANTOS PHARMACEUTICALS HOLDING, INC. 2008-09-11 US disclosed
US-20080221091-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 CYP1A2 415/4885CYP3A4 376/4885TP53 2223/4885
US-20080221095-A1 Metalloprotease inhibitors containing a heterocyclic moiety MMP13, MMP11, MMP3 CYP1A2 1246/4885CYP3A4 1177/4885TP53 4098/4885
US-20080221091-A1 Metalloprotease inhibitors containing a heterocyclic moiety MMP12, MMP13, MMP25 CYP1A2 341/4885CYP3A4 359/4885TP53 1974/4885

“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.