SCHEMBL10168277

SCHEMBL10168277

Cc1cc(CNc2n[nH]c3c(C(=O)NCc4ccc(F)c(Cl)c4)ncnc23)ccc1C(=O)O

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GRM4 Q14833 1/20 0.44
MMP13 P45452 3/20 0.43
MAPK1 P28482 4/20 0.43
MMP10 P09238 1/20 0.42
MMP9 P14780 1/20 0.42
MMP8 P22894 1/20 0.42
NR1H4 Q96RI1 3/20 0.41
PPARG P37231 1/20 0.40
HDAC3 O15379 1/20 0.39
HDAC1 Q13547 1/20 0.39
HDAC2 Q92769 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
WDR5 P61964 2/20 0.39
RPS6KB1 P23443 3/20 0.38
AURKA O14965 2/20 0.38
EPHX2 P34913 1/20 0.38
PTGER4 P35408 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
SCHEMBL10162751 0.94 GRM4 (0.43) GRM4MMP13MAPK1MMP10MMP9
SCHEMBL10168110 0.92 GRM4 (0.43) GRM4MMP13MAPK1MMP10MMP9
SCHEMBL8226103 0.92 GRM4 (0.43) GRM4MMP13MAPK1MMP10MMP9
SCHEMBL10163615 0.90 GRM4 (0.47) GRM4MMP13MAPK1MMP10MMP9
SCHEMBL10211500 0.89 GRM4 (0.45) GRM4MMP13MAPK1MMP10MMP9
SCHEMBL10162594 0.89 GRM4 (0.48) GRM4MMP13MAPK1PPARGHDAC3
SCHEMBL10162743 0.88 GRM4 (0.47) GRM4MMP13MAPK1PPARGHDAC3
SCHEMBL10162788 0.88 GRM4 (0.51) GRM4MMP13MAPK1PPARGHDAC3
SCHEMBL10168351 0.87 GRM4 (0.45) GRM4MMP13MAPK1MMP10MMP9
SCHEMBL10168688 0.87 GRM4 (0.46) GRM4MMP13MAPK1HDAC3HDAC1

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-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

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 GRM4 4373/4885MMP13 1/4885MAPK1 2860/4885
US-20120015920-A1 HETEROBICYCLIC METALLOPROTEASE INHIBITORS MMP13, TIMP3, MMP3 GRM4 4373/4885MMP13 1/4885MAPK1 2860/4885
US-20090137547-A1 Heterobicyclic metalloprotease inhibitors MMP13, TIMP3, MMP3 GRM4 4373/4885MMP13 1/4885MAPK1 2860/4885
US-20070155738-A1 Heterobicyclic metalloprotease inhibitors MMP13, TIMP3, MMP3 GRM4 4373/4885MMP13 1/4885MAPK1 2860/4885

“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.