SCHEMBL8252145

SCHEMBL8252145

Cc1cc(CNC(=O)c2cc(C(=O)NC[C@H](C)c3ccccc3)n3ncnc3n2)ccc1F

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MMP13 P45452 7/20 0.50
MMP10 P09238 2/20 0.44
MMP8 P22894 2/20 0.44
MMP9 P14780 1/20 0.44
TP53 P04637 2/20 0.40
DHODH Q02127 1/20 0.40
MAPT P10636 2/20 0.38
CYP3A4 P08684 1/20 0.38
THRB P10828 1/20 0.38
ALDH1A1 P00352 1/20 0.38
LMNA P02545 1/20 0.38
HCRTR1 O43613 1/20 0.37
HCRTR2 O43614 1/20 0.37
BCL2 P10415 2/20 0.37
BCL2L1 Q07817 2/20 0.37
MCL1 Q07820 2/20 0.37
BCL2A1 Q16548 2/20 0.37
BAK1 Q16611 1/20 0.37

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
SCHEMBL10165592 1.00 MMP13 (0.50) MMP13MMP10MMP8MMP9TP53
SCHEMBL10162297 0.90 MMP13 (0.57) MMP13MMP10MMP8MMP9MAPT
SCHEMBL10165795 0.89 MMP13 (0.63) MMP13MMP10MMP8MMP9CYP3A4
SCHEMBL8253453 0.85 MMP13 (0.54) MMP13MMP10MMP8MMP9TP53
SCHEMBL8249397 0.85 MMP13 (0.48) MMP13MMP10MMP8MMP9CYP3A4
SCHEMBL8256094 0.85 MMP13 (0.58) MMP13MMP10MMP8MMP9TP53
SCHEMBL10165587 0.85 MMP13 (0.58) MMP13MMP10MMP8MMP9TP53
SCHEMBL4256034 0.85 MMP13 (0.60) MMP13MMP10MMP8MMP9CYP3A4
SCHEMBL10164679 0.85 MMP13 (0.57) MMP13MMP10MMP8MMP9CYP3A4
SCHEMBL8255698 0.84 MMP13 (0.53) MMP13MMP10MMP8MMP9CYP3A4

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-20120015920-A1 HETEROBICYCLIC METALLOPROTEASE INHIBITORS ALANTOS PHARMACEUTICALS HOLDING, INC. (US) 2012-01-19 US disclosed
US-20120015920-A1 HETEROBICYCLIC METALLOPROTEASE INHIBITORS ALANTOS PHARMACEUTICALS HOLDING, INC. (US) 2012-01-19 US disclosed
US-7795245-B2 Heterobicyclic metalloprotease inhibitors Atlantos Pharmaceuticals Holding, Inc. (US) 2010-09-14 US disclosed
US-7795245-B2 Heterobicyclic metalloprotease inhibitors Atlantos Pharmaceuticals Holding, Inc. (US) 2010-09-14 US disclosed
US-20090312312-A1 Heterobicyclic Metalloprotease Inhibitors ALANTOS PHARMACEUTICALS HOLDING, INC. (US) 2009-12-17 US disclosed
US-20090312312-A1 Heterobicyclic Metalloprotease Inhibitors ALANTOS PHARMACEUTICALS HOLDING, INC. (US) 2009-12-17 US disclosed
US-20090137547-A1 Heterobicyclic metalloprotease inhibitors ALANTOS PHARMACEUTICALS HOLDING, INC. 2009-05-28 US disclosed
US-20090137547-A1 Heterobicyclic metalloprotease inhibitors ALANTOS PHARMACEUTICALS HOLDING, INC. 2009-05-28 US disclosed
US-20070155738-A1 Heterobicyclic metalloprotease inhibitors ALANTOS PHARMACEUTICALS, INC. 2007-07-05 US disclosed
US-20070155738-A1 Heterobicyclic metalloprotease inhibitors ALANTOS PHARMACEUTICALS, INC. 2007-07-05 US disclosed
WO-2006128184-A2 PYRIMIDINE OR TRIAZINE FUSED BICYCLIC METALLOPROTEASE INHIBITORS ALANTOS-PHARMACEUTICALS, INC. (US) 2006-11-30 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 (4 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-20090312312-A1 Heterobicyclic Metalloprotease Inhibitors MMP13, TIMP3, MMP3 MMP13 1/4885MMP10 4/4885MMP8 26/4885
US-20120015920-A1 HETEROBICYCLIC METALLOPROTEASE INHIBITORS MMP13, TIMP3, MMP3 MMP13 1/4885MMP10 4/4885MMP8 26/4885
US-20090137547-A1 Heterobicyclic metalloprotease inhibitors MMP13, TIMP3, MMP3 MMP13 1/4885MMP10 4/4885MMP8 26/4885
US-20070155738-A1 Heterobicyclic metalloprotease inhibitors MMP13, TIMP3, MMP3 MMP13 1/4885MMP10 4/4885MMP8 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.