Sugi Predict

Sugi Predict / Compounds / SCHEMBL10166989

SCHEMBL10166989

SCHEMBL10166989

CN1C(=O)COc2ccc(CNC(=O)c3cc(C(=O)NCC45CCC(C(=O)O)(CC4)CC5)n4ncc(F)c4n3)cc21

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KLKB1 P03952 1/20 0.42
▸ ADAMTS4 O75173 2/20 0.41
▸ MMP3 P08254 2/20 0.41
▸ MMP13 P45452 2/20 0.41
▸ MMP8 P22894 1/20 0.36
▸ MMP12 P39900 1/20 0.36
▸ GPR55 Q9Y2T6 1/20 0.34
▸ MALT1 Q9UDY8 1/20 0.34
▸ CYP1A2 P05177 2/20 0.33
▸ CYP3A4 P08684 2/20 0.33
▸ CYP2D6 P10635 2/20 0.33
▸ CYP2C9 P11712 2/20 0.33
▸ CYP2C19 P33261 2/20 0.33
▸ GAA P10253 1/20 0.33
▸ HTR1A P08908 3/20 0.33
▸ HTR1D P28221 3/20 0.33
▸ HTR1B P28222 3/20 0.33
▸ POLB P06746 2/20 0.33
▸ TP53 P04637 1/20 0.33
▸ ALDH1A1 P00352 3/20 0.33

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
SCHEMBL10162275 0.94 KLKB1 (0.41) KLKB1ADAMTS4MMP3MMP13MMP8
SCHEMBL10166755 0.93 KLKB1 (0.41) KLKB1ADAMTS4MMP3MMP13MMP8
SCHEMBL10166990 0.92 ADAMTS4 (0.41) KLKB1ADAMTS4MMP3MMP13MMP8
SCHEMBL10166992 0.91 ADAMTS4 (0.40) KLKB1ADAMTS4MMP3MMP13MMP8
SCHEMBL10162274 0.86 ADAMTS4 (0.39) KLKB1ADAMTS4MMP3MMP13MMP8
SCHEMBL13377759 0.86 ADAMTS4 (0.39) ADAMTS4MMP3MMP13MMP8MMP12
SCHEMBL10211374 0.86 MMP13 (0.47) ADAMTS4MMP3MMP13MMP8MMP12
SCHEMBL10162282 0.86 ADAMTS4 (0.39) KLKB1ADAMTS4MMP3MMP13MMP8
SCHEMBL13377774 0.86 ADAMTS4 (0.38) KLKB1ADAMTS4MMP3MMP13MMP8
SCHEMBL10166995 0.86 HPGD (0.44) ADAMTS4MMP3MMP13POLBTP53

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 8 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-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 KLKB1 1267/4885ADAMTS4 38/4885MMP3 3/4885
US-20120015920-A1 HETEROBICYCLIC METALLOPROTEASE INHIBITORS MMP13, TIMP3, MMP3 KLKB1 1267/4885ADAMTS4 38/4885MMP3 3/4885
US-20090137547-A1 Heterobicyclic metalloprotease inhibitors MMP13, TIMP3, MMP3 KLKB1 1267/4885ADAMTS4 38/4885MMP3 3/4885
US-20070155738-A1 Heterobicyclic metalloprotease inhibitors MMP13, TIMP3, MMP3 KLKB1 1267/4885ADAMTS4 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.