Sugi Predict

Sugi Predict / Compounds / SCHEMBL2177555

SCHEMBL2177555

SCHEMBL2177555

C[C@@]1(C(=O)N2CCN(c3ccccc3)CC2)[C@@H](C(=O)NO)C[C@H](Oc2ccnc3ccccc23)CN1C(=O)O

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ HCRTR2 O43614 2/20 0.38
▸ IDO1 P14902 2/20 0.38
▸ HCRTR1 O43613 1/20 0.37
▸ ADAM10 O14672 9/20 0.36
▸ ERBB2 P04626 9/20 0.36
▸ MMP2 P08253 8/20 0.36
▸ MMP3 P08254 6/20 0.36
▸ MMP9 P14780 6/20 0.36
▸ DRD2 P14416 1/20 0.36
▸ DRD3 P35462 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ CYP3A4 P08684 1/20 0.35
▸ ADAM17 P78536 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ LMNA P02545 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
SCHEMBL2173047 0.89 ALDH1A1 (0.42) HCRTR2HCRTR1ADAM10ERBB2MMP2
SCHEMBL2174964 0.85 ADAM10 (0.39) ADAM10ERBB2MMP2MMP3MMP9
SCHEMBL2171783 0.84 ADAM10 (0.40) ADAM10ERBB2MMP2MMP3MMP9
SCHEMBL2172691 0.84 ADAM10 (0.40) ADAM10ERBB2MMP2MMP3MMP9
SCHEMBL2174042 0.84 ADAM10 (0.44) ADAM10ERBB2MMP2MMP3MMP9
SCHEMBL2172955 0.84 ADAM10 (0.41) ADAM10ERBB2MMP2MMP3MMP9
SCHEMBL2175303 0.84 ADAM10 (0.39) ADAM10ERBB2MMP2MMP3MMP9
SCHEMBL2175238 0.84 ADAM10 (0.39) ADAM10ERBB2MMP2MMP3MMP9
SCHEMBL2172221 0.83 ADAM10 (0.37) HCRTR2HCRTR1ADAM10ERBB2MMP2
SCHEMBL2174339 0.82 CHRM1 (0.38) 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 HCRTR2 2840/4885IDO1 71/4885HCRTR1 1892/4885
US-20050113344-A1 Substituted cyclic hydroxamates as inhibitors of matrix metalloproteinases MMP25, MMP2, MMP14 HCRTR2 2862/4885IDO1 61/4885HCRTR1 1686/4885

“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.