SCHEMBL10165949

SCHEMBL10165949

O=C(NCc1ccc(F)c(OC(F)(F)F)c1)c1cc(C(=O)NCC23CCC(C(=O)O)(CC2)CC3)n2ncc(F)c2n1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MMP13 P45452 6/20 0.47
ADAMTS4 O75173 1/20 0.47
MMP3 P08254 1/20 0.47
RIPK1 Q13546 1/20 0.38
ENPP2 Q13822 1/20 0.37
KCNN4 O15554 2/20 0.36
SCN5A Q14524 1/20 0.36
SCN9A Q15858 1/20 0.36
MAPK1 P28482 2/20 0.35
ALDH1A1 P00352 1/20 0.35
LMNA P02545 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
RPS6KA1 Q15418 1/20 0.34
CACNA1H O95180 2/20 0.34
P2RX7 Q99572 3/20 0.33
PDE2A O00408 1/20 0.33
SCN3A Q9NY46 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
SCHEMBL10162200 0.93 MMP13 (0.46) MMP13ADAMTS4MMP3RIPK1ENPP2
SCHEMBL8256473 0.93 MMP13 (0.47) MMP13ADAMTS4MMP3RIPK1ENPP2
SCHEMBL10165845 0.90 MMP13 (0.44) MMP13ADAMTS4MMP3MAPK1ALDH1A1
SCHEMBL8253119 0.89 MMP13 (0.43) MMP13ADAMTS4MMP3RIPK1
SCHEMBL10165948 0.89 MMP13 (0.57) MMP13ADAMTS4MMP3SCN9AMAPK1
SCHEMBL10165941 0.87 MMP13 (0.48) MMP13ADAMTS4MMP3MAPK1ALDH1A1
SCHEMBL8253371 0.87 MMP13 (0.45) MMP13ADAMTS4MMP3MAPK1RPS6KA1
SCHEMBL8255651 0.87 MMP13 (0.43) MMP13ADAMTS4MMP3MAPK1ALDH1A1
SCHEMBL8246340 0.85 ADAMTS4 (0.45) MMP13ADAMTS4MMP3MAPK1RPS6KA1
SCHEMBL13594054 0.84 MMP13 (0.47) MMP13ADAMTS4MMP3RIPK1ENPP2

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 7 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-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
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 MMP13 1/4885ADAMTS4 38/4885MMP3 3/4885
US-20120015920-A1 HETEROBICYCLIC METALLOPROTEASE INHIBITORS MMP13, TIMP3, MMP3 MMP13 1/4885ADAMTS4 38/4885MMP3 3/4885
US-20090137547-A1 Heterobicyclic metalloprotease inhibitors MMP13, TIMP3, MMP3 MMP13 1/4885ADAMTS4 38/4885MMP3 3/4885
US-20070155738-A1 Heterobicyclic metalloprotease inhibitors MMP13, TIMP3, MMP3 MMP13 1/4885ADAMTS4 38/4885MMP3 3/4885

“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.