Sugi Predict

Sugi Predict / Compounds / SCHEMBL10162233

SCHEMBL10162233

SCHEMBL10162233

CC(=O)C12CCC(CNC(=O)c3cc(C(=O)NCc4ccnc(F)c4)nc4c(F)cnn34)(CC1)CC2

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MMP13 P45452 2/20 0.42
▸ ADAMTS4 O75173 1/20 0.42
▸ MMP3 P08254 1/20 0.42
▸ MAPK1 P28482 2/20 0.35
▸ RPS6KA1 Q15418 1/20 0.35
▸ ALDH1A1 P00352 5/20 0.32
▸ USP2 O75604 1/20 0.32
▸ TSHR P16473 1/20 0.32
▸ WNT3A P56704 3/20 0.32
▸ HPGD P15428 3/20 0.32
▸ KDM4E B2RXH2 2/20 0.32
▸ HSD17B10 Q99714 1/20 0.32
▸ EPHX2 P34913 1/20 0.31
▸ LMNA P02545 1/20 0.31
▸ SMN1; SMN2 Q16637 1/20 0.31
▸ CACNA1G O43497 1/20 0.31
▸ CACNA1H O95180 1/20 0.31
▸ CACNA1I Q9P0X4 1/20 0.31
▸ WDR5 P61964 1/20 0.31
▸ CYP1A1 P04798 1/20 0.31

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
SCHEMBL10162218 0.90 MMP13 (0.46) MMP13ADAMTS4MMP3MAPK1RPS6KA1
SCHEMBL10162232 0.90 MMP13 (0.40) MMP13ADAMTS4MMP3MAPK1RPS6KA1
SCHEMBL10162221 0.89 MMP13 (0.43) MMP13ADAMTS4MMP3MAPK1RPS6KA1
SCHEMBL10162205 0.89 MMP13 (0.46) MMP13ADAMTS4MMP3MAPK1RPS6KA1
SCHEMBL10162222 0.89 MMP13 (0.43) MMP13ADAMTS4MMP3MAPK1ALDH1A1
SCHEMBL10162209 0.88 MMP13 (0.44) MMP13ADAMTS4MMP3MAPK1RPS6KA1
SCHEMBL10162184 0.88 MMP13 (0.37) MMP13ADAMTS4MMP3MAPK1RPS6KA1
SCHEMBL10162247 0.86 MMP13 (0.46) MMP13ADAMTS4MMP3MAPK1RPS6KA1
SCHEMBL10162270 0.86 ALDH1A1 (0.33) MMP13ADAMTS4MMP3MAPK1ALDH1A1
SCHEMBL10162271 0.86 ALDH1A1 (0.44) 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 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.