Sugi Predict

Sugi Predict / Compounds / SCHEMBL10161640

SCHEMBL10161640

SCHEMBL10161640

CC(=O)c1ccc2c(c1C)CC[C@@H]2NC(=O)c1cc(C(=O)NCc2ccc(F)cc2)nc2ccnn12

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MMP13 P45452 4/20 0.64
▸ ADAMTS4 O75173 2/20 0.64
▸ MMP3 P08254 2/20 0.64
▸ MMP8 P22894 1/20 0.64
▸ MMP12 P39900 1/20 0.64
▸ SMN1; SMN2 Q16637 3/20 0.37
▸ POLB P06746 2/20 0.37
▸ ALDH1A1 P00352 1/20 0.36
▸ THRB P10828 1/20 0.35
▸ SLC22A8 Q8TCC7 1/20 0.35
▸ HTR1A P08908 1/20 0.35
▸ DRD2 P14416 1/20 0.35
▸ HTR2A P28223 1/20 0.35
▸ KCNH2 Q12809 1/20 0.35
▸ KDM4E B2RXH2 1/20 0.34
▸ GALR3 O60755 1/20 0.34
▸ TNF P01375 1/20 0.34
▸ RAB9A P51151 1/20 0.34
▸ NOD1 Q9Y239 1/20 0.34
▸ HTT P42858 1/20 0.34

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
SCHEMBL10161610 0.95 MMP13 (0.63) MMP13ADAMTS4MMP3MMP8MMP12
SCHEMBL10167383 0.94 MMP13 (0.72) MMP13ADAMTS4MMP3MMP8MMP12
SCHEMBL10161642 0.93 MMP13 (0.64) MMP13ADAMTS4MMP3MMP8MMP12
SCHEMBL10161623 0.93 MMP13 (0.65) MMP13ADAMTS4MMP3MMP8MMP12
SCHEMBL10161621 0.92 MMP13 (0.64) MMP13ADAMTS4MMP3MMP8MMP12
SCHEMBL10161636 0.92 ADAMTS4 (0.62) MMP13ADAMTS4MMP3MMP8MMP12
SCHEMBL10161638 0.91 MMP13 (0.63) MMP13ADAMTS4MMP3MMP8MMP12
SCHEMBL10166068 0.91 MMP13 (0.68) MMP13ADAMTS4MMP3MMP8MMP12
SCHEMBL10161627 0.91 MMP13 (0.63) MMP13ADAMTS4MMP3MMP8MMP12
SCHEMBL13592991 0.90 MMP13 (0.62) MMP13ADAMTS4MMP3MMP8MMP12

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.