Sugi Predict

Sugi Predict / Compounds / SCHEMBL2176908

SCHEMBL2176908

SCHEMBL2176908

C[C@]1(C(=O)N2CCN(c3ccccc3)CC2)N(C(=O)O)C[C@@H](OCC(=O)N2CCCC2)C[C@]1(C)C(=O)O

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.43
▸ MAPT P10636 5/20 0.43
▸ LMNA P02545 4/20 0.43
▸ NPSR1 Q6W5P4 3/20 0.43
▸ KDM4E B2RXH2 2/20 0.43
▸ HTT P42858 1/20 0.43
▸ HSD17B10 Q99714 1/20 0.43
▸ GRM5 P41594 2/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ CYP1A2 P05177 1/20 0.41
▸ TP53 P04637 1/20 0.40
▸ MEN1 O00255 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ CYP3A4 P08684 2/20 0.40
▸ CYP2C19 P33261 2/20 0.40
▸ TSHR P16473 1/20 0.40
▸ MAPK1 P28482 1/20 0.39
▸ GLA P06280 1/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.39

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
SCHEMBL4476420 0.85 GPR119 (0.39) ALDH1A1MAPTLMNANPSR1KDM4E
SCHEMBL2173082 0.84 ALDH1A1 (0.46) ALDH1A1MAPTLMNANPSR1KDM4E
SCHEMBL2177320 0.84 LMNA (0.41) ALDH1A1MAPTLMNANPSR1KDM4E
SCHEMBL2173080 0.82 ALDH1A1 (0.44) ALDH1A1MAPTLMNANPSR1HTT
SCHEMBL2177052 0.81 LMNA (0.43) ALDH1A1MAPTLMNANPSR1HTT
SCHEMBL2174752 0.79 ADAM10 (0.37) ALDH1A1MAPTLMNANPSR1KDM4E
SCHEMBL2173178 0.79 LMNA (0.49) ALDH1A1MAPTLMNANPSR1HTT
SCHEMBL2173564 0.79 LMNA (0.49) ALDH1A1MAPTLMNANPSR1HTT
SCHEMBL2173356 0.78 ADAM10 (0.46) MAPTNPSR1GRM5
SCHEMBL2174272 0.76 ALOX15 (0.41) ALDH1A1MAPTLMNANPSR1HTT

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 ALDH1A1 673/4885MAPT 2590/4885LMNA 2321/4885
US-20050113344-A1 Substituted cyclic hydroxamates as inhibitors of matrix metalloproteinases MMP25, MMP2, MMP14 ALDH1A1 497/4885MAPT 2732/4885LMNA 2198/4885

“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.