Sugi Predict

Sugi Predict / Compounds / SCHEMBL2489351

SCHEMBL2489351

SCHEMBL2489351

CC(C)(C)OC[C@H]1C(=O)NC2(CC2)C(=O)N1Cc1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 5/20 0.42
▸ MMP1 P03956 1/20 0.36
▸ MMP3 P08254 1/20 0.36
▸ MMP9 P14780 1/20 0.36
▸ MEN1 O00255 4/20 0.36
▸ HSD11B1 P28845 1/20 0.36
▸ MAPT P10636 1/20 0.35
▸ HDAC2 Q92769 1/20 0.34
▸ HDAC8 Q9BY41 1/20 0.34
▸ HDAC6 Q9UBN7 1/20 0.34
▸ ELANE P08246 1/20 0.34
▸ EHMT2 Q96KQ7 1/20 0.34
▸ ALDH1A1 P00352 3/20 0.34
▸ SMN1; SMN2 Q16637 3/20 0.34
▸ LMNA P02545 2/20 0.34
▸ HTT P42858 2/20 0.34
▸ MAPK1 P28482 1/20 0.34
▸ NPC1 O15118 1/20 0.34
▸ RAB9A P51151 1/20 0.34

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
SCHEMBL2492931 1.00 KMT2A (0.42) KMT2AMMP1MMP3MMP9MEN1
SCHEMBL2487236 0.84 KMT2A (0.39) KMT2AMMP1MMP3MMP9MEN1
SCHEMBL1508566 0.83 KMT2A (0.48) KMT2AMEN1HSD11B1MAPTELANE
SCHEMBL22661899 0.83 KMT2A (0.48) KMT2AMEN1HSD11B1MAPTELANE
SCHEMBL1508627 0.83 KMT2A (0.48) KMT2AMEN1HSD11B1MAPTELANE
SCHEMBL2491074 0.80 KMT2A (0.48) KMT2AMEN1MAPTHDAC2HDAC8
SCHEMBL1508950 0.77 KMT2A (0.50) KMT2AMEN1HSD11B1MAPTELANE
SCHEMBL1508846 0.77 KMT2A (0.50) KMT2AMEN1HSD11B1MAPTELANE
SCHEMBL22661866 0.77 KMT2A (0.50) KMT2AMEN1HSD11B1MAPTELANE
SCHEMBL31473158 0.68 EHMT2 (0.40) MMP1MMP3MMP9HDAC8HDAC6

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-20130172362-A1 Imidazothiazole Derivatives Having Proline Ring Structure DAIICHI SANKYO COMPANY, LIMITED (JP) 2013-07-04 — — US disclosed
US-20130172362-A1 Imidazothiazole Derivatives Having Proline Ring Structure DAIICHI SANKYO COMPANY, LIMITED (JP) 2013-07-04 — — US disclosed
US-20130172362-A1 Imidazothiazole Derivatives Having Proline Ring Structure DAIICHI SANKYO COMPANY, LIMITED (JP) 2013-07-04 — — US disclosed
US-8404691-B2 Imidazothiazole derivatives having proline ring structure DAIICHI SANKYO COMPANY, LIMITED (JP) 2013-03-26 — — US disclosed
US-8404691-B2 Imidazothiazole derivatives having proline ring structure DAIICHI SANKYO COMPANY, LIMITED (JP) 2013-03-26 — — US disclosed
US-8404691-B2 Imidazothiazole derivatives having proline ring structure DAIICHI SANKYO COMPANY, LIMITED (JP) 2013-03-26 — — US disclosed
EP-2380892-A1 IMIDAZOTHIAZOLE DERIVATIVE HAVING PROLINE RING STRUCTURE Daiichi Sankyo Company, Limited (JP) 2011-10-26 — — EP 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 (1 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-20130172362-A1 Imidazothiazole Derivatives Having Proline Ring Structure MDM2, TP53, TP53BP1 KMT2A 1912/4885MMP1 2667/4885MMP3 1877/4885

“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.