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SCHEMBL10165627

SCHEMBL10165627

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

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ MMP13 P45452 7/20 0.40
▸ ADAMTS4 O75173 2/20 0.40
▸ MMP3 P08254 2/20 0.40
▸ MMP8 P22894 1/20 0.40
▸ MMP12 P39900 1/20 0.40
▸ CACNA1G O43497 6/20 0.38
▸ CACNA1H O95180 6/20 0.38
▸ CACNA1I Q9P0X4 6/20 0.38
▸ MET P08581 1/20 0.38
▸ PPARG P37231 2/20 0.36
▸ PDGFRA P16234 1/20 0.36
▸ MAPK1 P28482 1/20 0.35
▸ P2RX7 Q99572 1/20 0.35
▸ PDE10A Q9Y233 1/20 0.35

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
SCHEMBL8256461 0.94 MMP13 (0.46) MMP13ADAMTS4MMP3MMP8MMP12
SCHEMBL8253804 0.94 MMP13 (0.40) MMP13ADAMTS4MMP3MMP8MMP12
SCHEMBL10162179 0.92 MMP13 (0.39) MMP13ADAMTS4MMP3MMP8MMP12
SCHEMBL10166174 0.92 POLB (0.39) MMP13ADAMTS4MMP3MMP8MMP12
SCHEMBL8253423 0.92 MMP13 (0.44) MMP13ADAMTS4MMP3MMP8MMP12
SCHEMBL10165517 0.91 MMP13 (0.38) MMP13ADAMTS4MMP3MMP8MMP12
SCHEMBL10165628 0.88 MMP13 (0.47) MMP13ADAMTS4MMP3CACNA1GCACNA1H
SCHEMBL10211156 0.88 MMP13 (0.39) MMP13ADAMTS4MMP3MMP8MMP12
SCHEMBL8254354 0.87 CDK2 (0.39) MMP13ADAMTS4MMP3MMP8MMP12
SCHEMBL10162185 0.86 MMP13 (0.47) 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-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.