SCHEMBL10162247

SCHEMBL10162247

CC(=O)C12CCC(CNC(=O)c3cc(C(=O)NCc4ccc(C(F)(F)F)cc4)nc4c(F)cnn34)(CC1)CC2

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP13 P45452 2/20 0.46
ADAMTS4 O75173 1/20 0.46
MMP3 P08254 1/20 0.46
PDE2A O00408 1/20 0.38
TRPV1 Q8NER1 3/20 0.36
PSMD14 O00487 1/20 0.36
STAMBP O95630 1/20 0.36
ADORA3 P0DMS8 1/20 0.36
ADORA2A P29274 1/20 0.36
ADORA1 P30542 1/20 0.36
RORC P51449 3/20 0.35
RAF1 P04049 1/20 0.35
CHRNB2 P17787 1/20 0.34
CHRNB4 P30926 1/20 0.34
CHRNA3 P32297 1/20 0.34
CHRNA4 P43681 1/20 0.34
MAPK1 P28482 1/20 0.34
RPS6KA1 Q15418 1/20 0.34
CHRNA7 P36544 1/20 0.34
BRAF P15056 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
SCHEMBL10162221 0.92 MMP13 (0.43) MMP13ADAMTS4MMP3MAPK1RPS6KA1
SCHEMBL10162218 0.90 MMP13 (0.46) MMP13ADAMTS4MMP3TRPV1MAPK1
SCHEMBL10162205 0.88 MMP13 (0.46) MMP13ADAMTS4MMP3MAPK1RPS6KA1
SCHEMBL10162209 0.87 MMP13 (0.44) MMP13ADAMTS4MMP3MAPK1RPS6KA1
SCHEMBL10162200 0.87 MMP13 (0.46) MMP13ADAMTS4MMP3PDE2AMAPK1
SCHEMBL10162233 0.86 MMP13 (0.42) MMP13ADAMTS4MMP3MAPK1RPS6KA1
SCHEMBL10162222 0.86 MMP13 (0.43) MMP13ADAMTS4MMP3ADORA3ADORA2A
SCHEMBL10162199 0.86 PDE2A (0.40) MMP13ADAMTS4MMP3PDE2ATRPV1
SCHEMBL10162264 0.85 PDE2A (0.39) MMP13PDE2ATRPV1PSMD14STAMBP
SCHEMBL10162271 0.85 ALDH1A1 (0.44) MMP13ADAMTS4MMP3MAPK1

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.