Sugi Predict

Sugi Predict / Compounds / SCHEMBL2176111

SCHEMBL2176111

SCHEMBL2176111

C[C@@]1(C(=O)N2CCN(c3ccccc3)CC2)[C@@H](C(=O)NO)C[C@H](Oc2nc3ccccc3s2)CN1C(=O)O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 5/20 0.39
▸ ALDH1A1 P00352 2/20 0.39
▸ PKM P14618 1/20 0.39
▸ HPGD P15428 1/20 0.39
▸ ADAM10 O14672 9/20 0.38
▸ ERBB2 P04626 9/20 0.38
▸ MMP2 P08253 8/20 0.38
▸ MMP3 P08254 6/20 0.38
▸ MMP9 P14780 6/20 0.38
▸ HCRTR2 O43614 1/20 0.38
▸ SMN1; SMN2 Q16637 3/20 0.37
▸ LMNA P02545 2/20 0.37
▸ ALOX15 P16050 1/20 0.37
▸ TSHR P16473 1/20 0.37
▸ CASP1 P29466 1/20 0.37
▸ HTT P42858 1/20 0.37
▸ HSD17B10 Q99714 1/20 0.37
▸ PDE10A Q9Y233 2/20 0.37
▸ NPC1 O15118 3/20 0.36
▸ RAB9A P51151 3/20 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 0.85 ADAM10 (0.44) ALDH1A1ADAM10ERBB2MMP2MMP3
SCHEMBL2173047 0.83 ALDH1A1 (0.42) MAPTALDH1A1ADAM10ERBB2MMP2
SCHEMBL2174446 0.83 ADAM10 (0.43) MAPTALDH1A1ADAM10ERBB2MMP2
SCHEMBL2172955 0.83 ADAM10 (0.41) ALDH1A1ADAM10ERBB2MMP2MMP3
SCHEMBL2174755 0.82 ADAM10 (0.38) ALDH1A1ADAM10ERBB2MMP2MMP3
SCHEMBL2174964 0.82 ADAM10 (0.39) ALDH1A1ADAM10ERBB2MMP2MMP3
SCHEMBL2177555 0.82 HCRTR2 (0.38) ALDH1A1ADAM10ERBB2MMP2MMP3
SCHEMBL2171783 0.82 ADAM10 (0.40) ALDH1A1ADAM10ERBB2MMP2MMP3
SCHEMBL2172691 0.82 ADAM10 (0.40) ALDH1A1ADAM10ERBB2MMP2MMP3
SCHEMBL2175238 0.81 ADAM10 (0.39) MAPTALDH1A1ADAM10ERBB2MMP2

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 MAPT 2590/4885ALDH1A1 673/4885PKM 1672/4885
US-20050113344-A1 Substituted cyclic hydroxamates as inhibitors of matrix metalloproteinases MMP25, MMP2, MMP14 MAPT 2732/4885ALDH1A1 497/4885PKM 1701/4885

“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.