Sugi Predict

Sugi Predict / Compounds / SCHEMBL10161923

SCHEMBL10161923

SCHEMBL10161923

Cc1c(C(=O)OCCN2CCCCC2)ccc2c1CC[C@@H]2NC(=O)c1cc(C(=O)NCc2ccc(F)c(C(F)(F)F)c2)nc2c(F)cnn12

nearest known ligand 0.78

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ MMP13 P45452 4/20 0.78
▸ ADAMTS4 O75173 2/20 0.78
▸ MMP3 P08254 2/20 0.78
▸ MMP8 P22894 1/20 0.44
▸ MMP12 P39900 1/20 0.44
▸ FPR3 P25089 1/20 0.35
▸ FPR2 P25090 1/20 0.35
▸ PDE2A O00408 1/20 0.34
▸ KLKB1 P03952 2/20 0.34
▸ HRH3 Q9Y5N1 1/20 0.33
▸ BDKRB1 P46663 3/20 0.33
▸ P2RX7 Q99572 3/20 0.33
▸ RPS6KB1 P23443 2/20 0.33
▸ AKT1 P31749 2/20 0.33
▸ DHODH Q02127 1/20 0.32
▸ BRAF P15056 1/20 0.32
▸ TRPV1 Q8NER1 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
SCHEMBL10167938 0.94 MMP13 (0.76) MMP13ADAMTS4MMP3MMP8MMP12
SCHEMBL10161927 0.92 MMP13 (0.85) MMP13ADAMTS4MMP3MMP8MMP12
SCHEMBL10162098 0.90 MMP13 (0.83) MMP13ADAMTS4MMP3MMP8MMP12
SCHEMBL10161938 0.90 MMP13 (0.88) MMP13ADAMTS4MMP3MMP8MMP12
SCHEMBL10167922 0.90 MMP13 (0.79) MMP13ADAMTS4MMP3MMP8MMP12
SCHEMBL10161968 0.90 MMP13 (0.79) MMP13ADAMTS4MMP3MMP8MMP12
SCHEMBL10168057 0.90 MMP13 (0.84) MMP13ADAMTS4MMP3MMP8MMP12
SCHEMBL8252833 0.89 MMP13 (0.81) MMP13ADAMTS4MMP3MMP8MMP12
SCHEMBL10166287 0.89 MMP13 (0.84) MMP13ADAMTS4MMP3MMP8MMP12
SCHEMBL10161934 0.88 MMP13 (0.80) 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.