Sugi Predict

Sugi Predict / Compounds / SCHEMBL2174624

SCHEMBL2174624

SCHEMBL2174624

CN1C[C@@H](Oc2ccncc2)C[C@H](C(=O)O)[C@@]1(C)C(=O)N1CC=C(c2ccccc2)CC1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.39
▸ SMN1; SMN2 Q16637 2/20 0.39
▸ GAA P10253 1/20 0.39
▸ TP53 P04637 1/20 0.38
▸ MDM2 Q00987 1/20 0.38
▸ ADAM10 O14672 2/20 0.38
▸ ERBB2 P04626 2/20 0.38
▸ MMP2 P08253 2/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.37
▸ EPHX2 P34913 1/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ NPC1 O15118 1/20 0.37
▸ ALOX15 P16050 1/20 0.37
▸ TSHR P16473 1/20 0.37
▸ RAB9A P51151 1/20 0.37
▸ KCNH2 Q12809 1/20 0.37
▸ HRH3 Q9Y5N1 1/20 0.37
▸ NAMPT P43490 3/20 0.36
▸ TDP1 Q9NUW8 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
SCHEMBL2172307 0.83 ALDH1A1 (0.46) ALDH1A1SMN1; SMN2GAATP53ADAM10
SCHEMBL6024817 0.77 ALDH1A1 (0.50) ALDH1A1SMN1; SMN2GAAADAM10ERBB2
SCHEMBL3457466 0.77 ALDH1A1 (0.50) ALDH1A1SMN1; SMN2GAAADAM10ERBB2
SCHEMBL3458463 0.73 ALDH1A1 (0.50) ALDH1A1SMN1; SMN2GAATP53MDM2
SCHEMBL2174622 0.73 ALDH1A1 (0.48) ALDH1A1SMN1; SMN2GAAADAM10ERBB2
SCHEMBL2174616 0.73 ADAM10 (0.49) ALDH1A1SMN1; SMN2GAAADAM10ERBB2
SCHEMBL2173570 0.73 ADAM10 (0.60) ALDH1A1GAAADAM10ERBB2MMP2
SCHEMBL2173573 0.69 ADAM10 (0.53) ALDH1A1SMN1; SMN2GAAADAM10ERBB2
SCHEMBL2175316 0.69 GRM1 (0.40) ALDH1A1GAATP53MDM2ADAM10
SCHEMBL2173555 0.67 ADAM10 (0.51) 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 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 673/4885SMN1; SMN2 4489/4885GAA 136/4885
US-20050113344-A1 Substituted cyclic hydroxamates as inhibitors of matrix metalloproteinases MMP25, MMP2, MMP14 ALDH1A1 497/4885SMN1; SMN2 4463/4885GAA 149/4885

“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.