Sugi Predict

Sugi Predict / Compounds / SCHEMBL10161599

SCHEMBL10161599

SCHEMBL10161599

CC(=O)c1ccc2c(c1)CC[C@@H]2NC(=O)c1cc(C(=O)NCc2ccc(F)cc2)nc2ccnn12

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ MMP13 P45452 6/20 0.50
▸ ADAMTS4 O75173 2/20 0.50
▸ MMP3 P08254 2/20 0.50
▸ MMP8 P22894 1/20 0.50
▸ MMP12 P39900 1/20 0.50
▸ HTR1A P08908 2/20 0.41
▸ DRD2 P14416 2/20 0.41
▸ HTR2A P28223 2/20 0.41
▸ KCNH2 Q12809 2/20 0.41
▸ TRPV1 Q8NER1 1/20 0.39
▸ SLC22A8 Q8TCC7 1/20 0.38
▸ SMN1; SMN2 Q16637 2/20 0.37
▸ ALDH1A1 P00352 3/20 0.37
▸ THRB P10828 1/20 0.36
▸ POLB P06746 1/20 0.36
▸ LMNA P02545 1/20 0.36
▸ ROCK2 O75116 1/20 0.36
▸ BDKRB1 P46663 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
SCHEMBL13161114 0.93 MMP13 (0.49) MMP13ADAMTS4MMP3MMP8MMP12
SCHEMBL10161502 0.92 MMP13 (0.51) MMP13ADAMTS4MMP3MMP8MMP12
SCHEMBL10161503 0.91 MMP13 (0.51) MMP13ADAMTS4MMP3MMP8MMP12
SCHEMBL10161532 0.91 MMP13 (0.49) MMP13ADAMTS4MMP3MMP8MMP12
SCHEMBL10161507 0.90 MMP13 (0.49) MMP13ADAMTS4MMP3MMP8MMP12
SCHEMBL10161525 0.89 MMP13 (0.58) MMP13ADAMTS4MMP3MMP8MMP12
SCHEMBL13161106 0.88 MMP13 (0.45) MMP13ADAMTS4MMP3MMP8MMP12
SCHEMBL10161530 0.88 MMP13 (0.47) MMP13ADAMTS4MMP3MMP8MMP12
SCHEMBL10161506 0.88 MMP13 (0.47) MMP13ADAMTS4MMP3MMP8MMP12
SCHEMBL10161524 0.86 MMP13 (0.47) 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.