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Sugi Predict / Compounds / SCHEMBL10162172

SCHEMBL10162172

SCHEMBL10162172

CC(=O)C12CCC(CNC(=O)c3cc(C(=O)NCc4ccc(F)c(OC(F)F)c4)nc4ccnn34)(CC1)CC2

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MMP13 P45452 8/20 0.37
▸ ADAMTS4 O75173 2/20 0.37
▸ MMP3 P08254 2/20 0.37
▸ MMP8 P22894 1/20 0.37
▸ MMP12 P39900 1/20 0.37
▸ MAPK1 P28482 3/20 0.34
▸ ALDH1A1 P00352 2/20 0.34
▸ LMNA P02545 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ PDE10A Q9Y233 1/20 0.34
▸ RXRA P19793 2/20 0.33
▸ GRIN1 Q05586 2/20 0.33
▸ GRIN2B Q13224 2/20 0.33
▸ RIPK1 Q13546 2/20 0.33
▸ RORC P51449 1/20 0.33
▸ HTT P42858 1/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.33
▸ METTL3 Q86U44 1/20 0.32
▸ METTL14 Q9HCE5 1/20 0.32
▸ RPS6KA1 Q15418 1/20 0.32

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
SCHEMBL10165517 0.93 MMP13 (0.38) MMP13ADAMTS4MMP3MMP8MMP12
SCHEMBL8249412 0.93 MMP13 (0.38) MMP13ADAMTS4MMP3MMP8MMP12
SCHEMBL10162179 0.89 MMP13 (0.39) MMP13ADAMTS4MMP3MMP8MMP12
SCHEMBL10162212 0.89 MMP13 (0.43) MMP13ADAMTS4MMP3MAPK1ALDH1A1
SCHEMBL10162260 0.89 MBOAT4 (0.36) MMP13ADAMTS4MMP3MMP8MAPK1
SCHEMBL10162190 0.88 KCNA5 (0.39) MMP13ADAMTS4MMP3MMP8MMP12
SCHEMBL10162185 0.88 MMP13 (0.47) MMP13ADAMTS4MMP3MMP8MMP12
SCHEMBL10165516 0.87 MMP13 (0.40) MMP13ADAMTS4MMP3MMP8MMP12
SCHEMBL10162183 0.87 MMP13 (0.40) MMP13ADAMTS4MMP3MMP8MMP12
SCHEMBL10162203 0.86 SMN1; SMN2 (0.40) MMP13ADAMTS4MMP3MMP8MMP12

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 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.