SCHEMBL10161552

SCHEMBL10161552

CC(=O)c1ccc2c(c1)C[C@H](O)[C@@H]2NC(=O)c1cc(C(=O)NCc2ccc(F)c(Cl)c2)n2ncc(F)c2n1

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MMP13 P45452 3/20 0.45
ADAMTS4 O75173 1/20 0.45
MMP3 P08254 1/20 0.45
MAPK1 P28482 10/20 0.37
RPS6KA1 Q15418 1/20 0.37
CHRM2 P08172 1/20 0.35
CHRM4 P08173 1/20 0.35
CHRM1 P11229 1/20 0.35
BRAF P15056 1/20 0.35
RORC P51449 1/20 0.34
ALK Q9UM73 1/20 0.34
HDAC3 O15379 1/20 0.34
HDAC1 Q13547 1/20 0.34
HDAC2 Q92769 1/20 0.34
HDAC6 Q9UBN7 1/20 0.34
GUCY1B2 O75343 1/20 0.33
GUCY1A2 P33402 1/20 0.33
GUCY1A1 Q02108 1/20 0.33
GUCY1B1 Q02153 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
SCHEMBL14449828 1.00 MMP13 (0.45) MMP13ADAMTS4MMP3MAPK1RPS6KA1
SCHEMBL10161692 0.97 MMP13 (0.48) MMP13ADAMTS4MMP3MAPK1RPS6KA1
SCHEMBL10161652 0.97 MMP13 (0.48) MMP13ADAMTS4MMP3MAPK1RPS6KA1
SCHEMBL8255787 0.91 MMP13 (0.50) MMP13ADAMTS4MMP3MAPK1RPS6KA1
SCHEMBL10165932 0.91 MMP13 (0.50) MMP13ADAMTS4MMP3MAPK1RPS6KA1
SCHEMBL10161691 0.91 MMP13 (0.49) MMP13ADAMTS4MMP3MAPK1RPS6KA1
SCHEMBL10161655 0.91 MMP13 (0.49) MMP13ADAMTS4MMP3MAPK1RPS6KA1
SCHEMBL10165576 0.90 MMP13 (0.47) MMP13ADAMTS4MMP3MAPK1RPS6KA1
SCHEMBL8252115 0.90 MMP13 (0.47) MMP13ADAMTS4MMP3MAPK1RPS6KA1
SCHEMBL10161689 0.89 MMP13 (0.50) MMP13ADAMTS4MMP3CHRM2CHRM4

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 5 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 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

“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.