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SCHEMBL10162358

SCHEMBL10162358

CC(=O)c1ccc(CNC(=O)c2cc(C(=O)NCc3ccc(F)c(OC(F)F)c3)nc3ccnn23)s1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ EPHX2 P34913 1/20 0.36
▸ MMP13 P45452 7/20 0.36
▸ ADAMTS4 O75173 2/20 0.36
▸ MMP3 P08254 2/20 0.36
▸ MMP8 P22894 1/20 0.36
▸ MMP12 P39900 1/20 0.36
▸ PDE10A Q9Y233 1/20 0.35
▸ ALDH1A1 P00352 3/20 0.34
▸ PDPK1 O15530 1/20 0.34
▸ MAPK1 P28482 3/20 0.34
▸ HTT P42858 1/20 0.34
▸ L3MBTL1 Q9Y468 1/20 0.34
▸ RIPK1 Q13546 1/20 0.34
▸ PDGFRA P16234 1/20 0.33
▸ LMNA P02545 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ RXRA P19793 1/20 0.33
▸ GRIN1 Q05586 1/20 0.33
▸ GRIN2B Q13224 1/20 0.33
▸ HDAC6 Q9UBN7 1/20 0.33

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
SCHEMBL10165516 0.89 MMP13 (0.40) MMP13ADAMTS4MMP3MMP8MMP12
SCHEMBL10162388 0.89 MMP13 (0.44) EPHX2MMP13ADAMTS4MMP3ALDH1A1
SCHEMBL10162369 0.89 RIPK1 (0.44) EPHX2MMP13ADAMTS4MMP3MMP8
SCHEMBL10162333 0.89 PDPK1 (0.41) EPHX2MMP13PDPK1MAPK1PDGFRA
SCHEMBL10165509 0.89 MMP13 (0.41) MMP13ADAMTS4MMP3MMP8MMP12
SCHEMBL10162352 0.87 ROCK2 (0.40) PDE10AMAPK1RIPK1LMNA
SCHEMBL10162336 0.87 MMP13 (0.49) EPHX2MMP13ADAMTS4MMP3MMP8
SCHEMBL10162345 0.86 MAPK1 (0.43) MMP13MAPK1GRIN1
SCHEMBL10162346 0.85 MMP13 (0.44) EPHX2MMP13ADAMTS4MMP3MMP8
SCHEMBL10162361 0.85 AKT3 (0.43) ALDH1A1MAPK1L3MBTL1LMNASMN1; SMN2

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-8835441-B2 Heterobicyclic metalloprotease inhibitors AMGEN INC. (US) 2014-09-16 — — 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-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-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 EPHX2 773/4885MMP13 1/4885ADAMTS4 38/4885
US-20120015920-A1 HETEROBICYCLIC METALLOPROTEASE INHIBITORS MMP13, TIMP3, MMP3 EPHX2 773/4885MMP13 1/4885ADAMTS4 38/4885
US-20090137547-A1 Heterobicyclic metalloprotease inhibitors MMP13, TIMP3, MMP3 EPHX2 773/4885MMP13 1/4885ADAMTS4 38/4885
US-20070155738-A1 Heterobicyclic metalloprotease inhibitors MMP13, TIMP3, MMP3 EPHX2 773/4885MMP13 1/4885ADAMTS4 38/4885

“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.