SCHEMBL8255802

SCHEMBL8255802

COC(=O)c1ccc2c(c1)C[C@@H](O)[C@@H]2NC(=O)c1cc(C(=O)NCc2ccc(F)cc2)nc2c(F)cnn12

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MMP13 P45452 4/20 0.46
ADAMTS4 O75173 1/20 0.46
MMP3 P08254 1/20 0.46
CCR1 P32246 1/20 0.38
GUCY1B2 O75343 1/20 0.37
GUCY1A2 P33402 1/20 0.37
GUCY1A1 Q02108 1/20 0.37
GUCY1B1 Q02153 1/20 0.37
CHRM1 P11229 6/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
CHRM2 P08172 5/20 0.36
CHRM4 P08173 4/20 0.36
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
PRKAA2 P54646 1/20 0.35
RORC P51449 1/20 0.35
ALDH1A1 P00352 1/20 0.35
SLC22A8 Q8TCC7 1/20 0.34

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
SCHEMBL8252838 1.00 MMP13 (0.46) MMP13ADAMTS4MMP3CCR1GUCY1B2
SCHEMBL10161677 0.93 MMP13 (0.47) MMP13ADAMTS4MMP3GUCY1B2GUCY1A2
SCHEMBL10161717 0.93 MMP13 (0.47) MMP13ADAMTS4MMP3GUCY1B2GUCY1A2
SCHEMBL8249417 0.92 MMP13 (0.49) MMP13ADAMTS4MMP3CHRM1SMN1; SMN2
SCHEMBL8249403 0.92 MMP13 (0.49) MMP13ADAMTS4MMP3CHRM1SMN1; SMN2
SCHEMBL10165576 0.92 MMP13 (0.47) MMP13ADAMTS4MMP3CCR1GUCY1B2
SCHEMBL8252115 0.92 MMP13 (0.47) MMP13ADAMTS4MMP3CCR1GUCY1B2
SCHEMBL10165574 0.90 MMP13 (0.58) MMP13ADAMTS4MMP3CCR1GUCY1B2
SCHEMBL10165421 0.90 MMP13 (0.58) MMP13ADAMTS4MMP3CCR1GUCY1B2
SCHEMBL8253368 0.88 MMP13 (0.43) MMP13ADAMTS4MMP3CCR1GUCY1B2

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 11 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
WO-2006128184-A2 PYRIMIDINE OR TRIAZINE FUSED BICYCLIC METALLOPROTEASE INHIBITORS ALANTOS-PHARMACEUTICALS, INC. (US) 2006-11-30 WO 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.