Sugi Predict

Sugi Predict / Compounds / SCHEMBL10166236

SCHEMBL10166236

SCHEMBL10166236

O=C(NCc1ccc(F)cc1)c1cc(C(=O)NCC23CCC(C(=O)O)(CC2)CC3)n2ncnc2n1

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ CNR2 P34972 1/20 0.38
▸ MAPT P10636 2/20 0.38
▸ MMP13 P45452 3/20 0.37
▸ SMN1; SMN2 Q16637 2/20 0.37
▸ ALDH1A1 P00352 1/20 0.37
▸ THRB P10828 2/20 0.36
▸ POLB P06746 2/20 0.36
▸ LMNA P02545 2/20 0.36
▸ TP53 P04637 2/20 0.36
▸ SLC22A8 Q8TCC7 1/20 0.36
▸ MAPK1 P28482 1/20 0.36
▸ CYP3A4 P08684 2/20 0.35
▸ ADORA2A P29274 1/20 0.35
▸ ADORA1 P30542 1/20 0.35
▸ PRKAA2 P54646 1/20 0.35

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
SCHEMBL10162262 0.92 SMN1; SMN2 (0.38) CNR2MAPTMMP13SMN1; SMN2ALDH1A1
SCHEMBL8255714 0.91 L3MBTL1 (0.38) MAPTMMP13SMN1; SMN2ALDH1A1THRB
SCHEMBL10165934 0.89 MMP13 (0.48) MMP13ALDH1A1CYP3A4
SCHEMBL8225272 0.89 MMP13 (0.40) MMP13MAPK1
SCHEMBL10166215 0.87 SMN1; SMN2 (0.39) CNR2MAPTMMP13SMN1; SMN2ALDH1A1
SCHEMBL8255651 0.85 MMP13 (0.43) CNR2MAPTMMP13SMN1; SMN2ALDH1A1
SCHEMBL8253375 0.84 MMP13 (0.47) MMP13ALDH1A1CYP3A4
SCHEMBL10162242 0.84 MMP13 (0.39) MAPTMMP13ALDH1A1CYP3A4
SCHEMBL10162264 0.83 PDE2A (0.39) MMP13CYP3A4
SCHEMBL10162267 0.83 LMNA (0.39) MMP13SMN1; SMN2THRBLMNATP53

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 CNR2 2267/4885MAPT 3533/4885MMP13 1/4885
US-20120015920-A1 HETEROBICYCLIC METALLOPROTEASE INHIBITORS MMP13, TIMP3, MMP3 CNR2 2267/4885MAPT 3533/4885MMP13 1/4885
US-20090137547-A1 Heterobicyclic metalloprotease inhibitors MMP13, TIMP3, MMP3 CNR2 2267/4885MAPT 3533/4885MMP13 1/4885
US-20070155738-A1 Heterobicyclic metalloprotease inhibitors MMP13, TIMP3, MMP3 CNR2 2267/4885MAPT 3533/4885MMP13 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.