SCHEMBL10162102

SCHEMBL10162102

CC(=O)c1ccc2c(c1C)CC[C@@H]2NCc1cc(C(=O)NCc2ccc3c(c2)OCO3)nc2ccnn12

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADAMTS4 O75173 2/20 0.56
MMP3 P08254 2/20 0.56
MMP13 P45452 2/20 0.56
MMP8 P22894 1/20 0.56
MMP12 P39900 1/20 0.56
HPGD P15428 5/20 0.41
TDP1 Q9NUW8 3/20 0.41
MAPK1 P28482 2/20 0.41
DGAT1 O75907 1/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
LMNA P02545 2/20 0.40
HTT P42858 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
HSD17B10 Q99714 3/20 0.39
KDM4E B2RXH2 3/20 0.39
POLB P06746 2/20 0.39
ALDH1A1 P00352 2/20 0.39
APOBEC3A P31941 1/20 0.39
ESR2 Q92731 1/20 0.39
APOBEC3G Q9HC16 1/20 0.39

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
SCHEMBL13161184 0.89 ADAMTS4 (0.69) ADAMTS4MMP3MMP13MMP8MMP12
SCHEMBL13592993 0.89 MMP13 (0.52) ADAMTS4MMP3MMP13MMP8MMP12
SCHEMBL10162143 0.87 ADAMTS4 (0.52) ADAMTS4MMP3MMP13MMP8MMP12
SCHEMBL10162146 0.86 ADAMTS4 (0.50) ADAMTS4MMP3MMP13MMP8MMP12
SCHEMBL10162107 0.86 ADAMTS4 (0.49) ADAMTS4MMP3MMP13MMP8MMP12
SCHEMBL10162088 0.85 MMP13 (0.49) ADAMTS4MMP3MMP13MMP8MMP12
SCHEMBL10167211 0.84 ADAMTS4 (0.77) ADAMTS4MMP3MMP13MMP8MMP12
SCHEMBL10162141 0.84 ADAMTS4 (0.48) ADAMTS4MMP3MMP13MMP8MMP12
SCHEMBL10162138 0.84 ADAMTS4 (0.48) ADAMTS4MMP3MMP13MMP8MMP12
SCHEMBL8187833 0.83 MMP13 (0.59) ADAMTS4MMP3MMP13MMP8MMP12

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 2 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

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

For each of this compound's patents that has machine-readable text (1 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-20120015920-A1 HETEROBICYCLIC METALLOPROTEASE INHIBITORS MMP13, TIMP3, MMP3 ADAMTS4 38/4885MMP3 3/4885MMP13 1/4885

“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.