SCHEMBL10165628

SCHEMBL10165628

COC(=O)C12CCC(CNC(=O)c3cc(C(=O)NCc4ccc(F)c(F)c4)nc4c(F)cnn34)(CC1)CC2

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MMP13 P45452 6/20 0.47
ADAMTS4 O75173 1/20 0.47
MMP3 P08254 1/20 0.47
CACNA1G O43497 6/20 0.40
CACNA1H O95180 6/20 0.40
CACNA1I Q9P0X4 6/20 0.40
MET P08581 1/20 0.39
MAPK1 P28482 2/20 0.37
RPS6KA1 Q15418 1/20 0.37
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
POLB P06746 1/20 0.35
ROCK2 O75116 1/20 0.35
ROCK1 Q13464 1/20 0.35
KLKB1 P03952 1/20 0.35
CYP1A1 P04798 1/20 0.35
HPGD P15428 1/20 0.35
PDE10A Q9Y233 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
SCHEMBL8253372 0.94 MMP13 (0.47) MMP13ADAMTS4MMP3CACNA1GCACNA1H
SCHEMBL8246532 0.94 MMP13 (0.45) MMP13ADAMTS4MMP3MAPK1RPS6KA1
SCHEMBL8253199 0.93 ADAMTS4 (0.44) MMP13ADAMTS4MMP3MAPK1ALDH1A1
SCHEMBL10162218 0.93 MMP13 (0.46) MMP13ADAMTS4MMP3CACNA1GCACNA1H
SCHEMBL10165630 0.92 MMP13 (0.57) MMP13ADAMTS4MMP3CACNA1GCACNA1H
SCHEMBL10165507 0.91 MMP13 (0.44) MMP13ADAMTS4MMP3CACNA1GCACNA1H
SCHEMBL8256473 0.91 MMP13 (0.47) MMP13ADAMTS4MMP3CACNA1GCACNA1H
SCHEMBL10166767 0.90 ALDH1A1 (0.43) MMP13ADAMTS4MMP3MAPK1ALDH1A1
SCHEMBL10166186 0.89 ADAMTS4 (0.45) MMP13ADAMTS4MMP3MAPK1RPS6KA1
SCHEMBL8256711 0.88 ADAMTS4 (0.42) MMP13ADAMTS4MMP3MAPK1ALDH1A1

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 7 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-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.