Sugi Predict

Sugi Predict / Compounds / SCHEMBL2174339

SCHEMBL2174339

SCHEMBL2174339

C[C@@]1(C(=O)N2CCN(c3ccccc3)CC2)[C@@H](C(=O)NO)C[C@H](Oc2ccc3ncccc3c2)CN1C(=O)O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CHRM1 P11229 1/20 0.38
▸ HTR1A P08908 1/20 0.37
▸ ADRA2A P08913 1/20 0.37
▸ ADRA2B P18089 1/20 0.37
▸ ADRA2C P18825 1/20 0.37
▸ ADRA1D P25100 1/20 0.37
▸ HTR2A P28223 1/20 0.37
▸ ADRA1A P35348 1/20 0.37
▸ HRH1 P35367 1/20 0.37
▸ ADRA1B P35368 1/20 0.37
▸ DRD3 P35462 1/20 0.37
▸ KCNH2 Q12809 1/20 0.37
▸ ADAM10 O14672 10/20 0.37
▸ ERBB2 P04626 10/20 0.37
▸ MMP2 P08253 9/20 0.37
▸ MMP3 P08254 6/20 0.37
▸ MMP9 P14780 6/20 0.37
▸ PDE3B Q13370 2/20 0.36
▸ PDE3A Q14432 2/20 0.36
▸ PDE10A Q9Y233 1/20 0.36

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
SCHEMBL2174042 0.86 ADAM10 (0.44) ADAM10ERBB2MMP2MMP3MMP9
SCHEMBL2172955 0.85 ADAM10 (0.41) ADAM10ERBB2MMP2MMP3MMP9
SCHEMBL2173154 0.84 ADAM10 (0.41) ADAM10ERBB2MMP2MMP3MMP9
SCHEMBL2172738 0.84 ADAM10 (0.40) ADAM10ERBB2MMP2MMP3MMP9
SCHEMBL2174964 0.84 ADAM10 (0.39) ADAM10ERBB2MMP2MMP3MMP9
SCHEMBL2174462 0.84 ADAM10 (0.40) ADAM10ERBB2MMP2MMP3MMP9
SCHEMBL2174887 0.84 EPHX2 (0.40) ADAM10ERBB2MMP2MMP3MMP9
SCHEMBL2174561 0.84 EPHX2 (0.40) ADAM10ERBB2MMP2MMP3MMP9
SCHEMBL2173957 0.83 ADAM10 (0.41) ADAM10ERBB2MMP2MMP3MMP9
SCHEMBL2172616 0.83 ADAM10 (0.41) ADAM10ERBB2MMP2MMP3MMP9

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-20110224189-A1 SUBSTITUTED CYCLIC HYDROXAMATES AS INHIBITORS OF MATRIX METALLOPROTEINASES INCYTE CORPORATION 2011-09-15 — — US claimed
US-20050113344-A1 Substituted cyclic hydroxamates as inhibitors of matrix metalloproteinases INCYTE CORPORATION 2005-05-26 — — US claimed
US-9440958-B2 Substituted cyclic hydroxamates as inhibitors of matrix metalloproteinases INCYTE CORPORATION (US) 2016-09-13 — — US disclosed
US-20110224189-A1 SUBSTITUTED CYCLIC HYDROXAMATES AS INHIBITORS OF MATRIX METALLOPROTEINASES INCYTE CORPORATION 2011-09-15 — — US disclosed
US-7973041-B2 Antiarthritic agents; psoriasis; anticancer agents;antiallergens; metalloprotease inhibitors. INCYTE CORPORATION (US) 2011-07-05 — — US disclosed
US-7491724-B2 Substituted cyclic hydroxamates as inhibitors of matrix metalloproteinases INCYTE CORPORATION (US) 2009-02-17 — — US disclosed
US-20050113344-A1 Substituted cyclic hydroxamates as inhibitors of matrix metalloproteinases INCYTE CORPORATION 2005-05-26 — — 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 (2 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-20110224189-A1 SUBSTITUTED CYCLIC HYDROXAMATES AS INHIBITORS OF MATRIX METALLOPROTEINASES MMP25, MMP14, MMP9 CHRM1 2939/4885HTR1A 2504/4885ADRA2A 4796/4885
US-20050113344-A1 Substituted cyclic hydroxamates as inhibitors of matrix metalloproteinases MMP25, MMP2, MMP14 CHRM1 2541/4885HTR1A 2126/4885ADRA2A 4775/4885

“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.