Sugi Predict

Sugi Predict / Compounds / SCHEMBL10162274

SCHEMBL10162274

SCHEMBL10162274

CCN1C(=O)COc2ccc(CNC(=O)c3cc(C(=O)NCC45CCC(C(C)=O)(CC4)CC5)n4ncc(F)c4n3)cc21

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADAMTS4 O75173 2/20 0.39
▸ MMP3 P08254 2/20 0.39
▸ MMP13 P45452 2/20 0.39
▸ CYP1A2 P05177 3/20 0.35
▸ CYP3A4 P08684 3/20 0.35
▸ CYP2D6 P10635 3/20 0.35
▸ CYP2C19 P33261 3/20 0.35
▸ CYP2C9 P11712 2/20 0.35
▸ GAA P10253 1/20 0.35
▸ TP53 P04637 4/20 0.35
▸ POLB P06746 3/20 0.35
▸ MMP8 P22894 1/20 0.34
▸ MMP12 P39900 1/20 0.34
▸ ALDH1A1 P00352 3/20 0.34
▸ MAPK1 P28482 2/20 0.34
▸ KLKB1 P03952 1/20 0.33
▸ RPS6KA1 Q15418 1/20 0.33
▸ KMT2A Q03164 2/20 0.32
▸ KDM4E B2RXH2 1/20 0.32
▸ MEN1 O00255 1/20 0.32

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
SCHEMBL10166990 0.95 ADAMTS4 (0.41) ADAMTS4MMP3MMP13CYP1A2CYP3A4
SCHEMBL10166759 0.93 ADAMTS4 (0.40) ADAMTS4MMP3MMP13CYP1A2CYP3A4
SCHEMBL10162275 0.92 KLKB1 (0.41) ADAMTS4MMP3MMP13CYP1A2CYP3A4
SCHEMBL10162282 0.90 ADAMTS4 (0.39) ADAMTS4MMP3MMP13CYP1A2CYP3A4
SCHEMBL10166989 0.86 KLKB1 (0.42) ADAMTS4MMP3MMP13CYP1A2CYP3A4
SCHEMBL13161211 0.86 MMP13 (0.46) ADAMTS4MMP3MMP13MMP8MMP12
SCHEMBL10209189 0.85 ADAMTS4 (0.40) ADAMTS4MMP3MMP13CYP1A2CYP3A4
SCHEMBL13377627 0.85 ADAMTS4 (0.37) ADAMTS4MMP3MMP13POLBMMP8
SCHEMBL10166755 0.85 KLKB1 (0.41) ADAMTS4MMP3MMP13CYP1A2CYP3A4
SCHEMBL10162271 0.85 ALDH1A1 (0.44) ADAMTS4MMP3MMP13CYP1A2CYP3A4

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 ADAMTS4 38/4885MMP3 3/4885MMP13 1/4885
US-20120015920-A1 HETEROBICYCLIC METALLOPROTEASE INHIBITORS MMP13, TIMP3, MMP3 ADAMTS4 38/4885MMP3 3/4885MMP13 1/4885
US-20090137547-A1 Heterobicyclic metalloprotease inhibitors MMP13, TIMP3, MMP3 ADAMTS4 38/4885MMP3 3/4885MMP13 1/4885
US-20070155738-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.