Sugi Predict

Sugi Predict / Compounds / SCHEMBL2174622

SCHEMBL2174622

SCHEMBL2174622

CCN1C[C@@H](Oc2ccncc2)C[C@H](C(=O)O)[C@H]1C(=O)N1CC=C(c2ccccc2)CC1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.48
▸ GAA P10253 1/20 0.48
▸ ADAM10 O14672 5/20 0.41
▸ ERBB2 P04626 5/20 0.41
▸ MMP2 P08253 3/20 0.41
▸ MMP9 P14780 2/20 0.41
▸ MMP3 P08254 1/20 0.41
▸ MMP12 P39900 1/20 0.41
▸ MMP14 P50281 1/20 0.41
▸ ADAM8 P78325 1/20 0.41
▸ ADAM17 P78536 1/20 0.41
▸ ADAM33 Q9BZ11 1/20 0.41
▸ SMN1; SMN2 Q16637 2/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ USP2 O75604 1/20 0.38
▸ LMNA P02545 1/20 0.38
▸ HPGD P15428 1/20 0.38
▸ HTT P42858 1/20 0.38
▸ TDP1 Q9NUW8 1/20 0.37

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
SCHEMBL3457466 0.88 ALDH1A1 (0.50) ALDH1A1GAAADAM10ERBB2MMP2
SCHEMBL6024817 0.88 ALDH1A1 (0.50) ALDH1A1GAAADAM10ERBB2MMP2
SCHEMBL3458463 0.86 ALDH1A1 (0.50) ALDH1A1GAAADAM10ERBB2MMP2
SCHEMBL2174616 0.80 ADAM10 (0.49) ALDH1A1GAAADAM10ERBB2MMP2
SCHEMBL2173570 0.80 ADAM10 (0.60) ALDH1A1GAAADAM10ERBB2MMP2
SCHEMBL2173573 0.76 ADAM10 (0.53) ALDH1A1GAAADAM10ERBB2MMP2
SCHEMBL2174624 0.73 ALDH1A1 (0.39) ALDH1A1GAAADAM10ERBB2MMP2
SCHEMBL2173555 0.73 ADAM10 (0.51) ADAM10ERBB2MMP2MMP9MMP3
SCHEMBL2176051 0.72 ADAM10 (0.65) ALDH1A1GAAADAM10ERBB2MMP2
SCHEMBL3458400 0.72 ALDH1A1 (0.58) ALDH1A1GAAADAM10ERBB2MMP2

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 673/4885GAA 136/4885ADAM10 25/4885
US-20050113344-A1 Substituted cyclic hydroxamates as inhibitors of matrix metalloproteinases MMP25, MMP2, MMP14 ALDH1A1 497/4885GAA 149/4885ADAM10 26/4885

“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.