Sugi Predict

Sugi Predict / Compounds / SCHEMBL2376274

SCHEMBL2376274

SCHEMBL2376274

C[C@@H]1C[C@@H](NC(=O)OC(C)(C)C)CN(C(=O)OCc2ccccc2)C1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 2/20 0.51
▸ L3MBTL1 Q9Y468 1/20 0.51
▸ PDE4B Q07343 1/20 0.50
▸ HSD11B1 P28845 1/20 0.46
▸ CHRM4 P08173 1/20 0.44
▸ SMN1; SMN2 Q16637 3/20 0.43
▸ NPC1 O15118 2/20 0.43
▸ RAB9A P51151 2/20 0.43
▸ HTT P42858 1/20 0.43
▸ KDM1A O60341 1/20 0.43
▸ MAOB P27338 1/20 0.43
▸ RORC P51449 1/20 0.42
▸ PDK1 Q15118 1/20 0.42
▸ PDK2 Q15119 1/20 0.42
▸ PDK3 Q15120 1/20 0.42
▸ PDK4 Q16654 1/20 0.42
▸ HTR2C P28335 1/20 0.42
▸ ALDH1A1 P00352 1/20 0.42
▸ GAA P10253 1/20 0.42
▸ CTSL P07711 2/20 0.42

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
SCHEMBL2377336 1.00 KMT2A (0.51) KMT2AL3MBTL1PDE4BHSD11B1CHRM4
SCHEMBL11978265 1.00 KMT2A (0.51) KMT2AL3MBTL1PDE4BHSD11B1CHRM4
SCHEMBL11912157 1.00 KMT2A (0.51) KMT2AL3MBTL1PDE4BHSD11B1CHRM4
SCHEMBL16798049 1.00 KMT2A (0.51) KMT2AL3MBTL1PDE4BHSD11B1CHRM4
SCHEMBL14428325 0.93 KMT2A (0.55) KMT2AL3MBTL1PDE4BHSD11B1CHRM4
SCHEMBL13456796 0.93 KMT2A (0.55) KMT2AL3MBTL1PDE4BHSD11B1CHRM4
SCHEMBL2821598 0.91 PDE4B (0.54) KMT2AL3MBTL1PDE4BHSD11B1CHRM4
SCHEMBL1710360 0.89 SMN1; SMN2 (0.51) KMT2AL3MBTL1PDE4BHSD11B1CHRM4
SCHEMBL4120725 0.89 KMT2A (0.51) KMT2AL3MBTL1PDE4BHSD11B1CHRM4
SCHEMBL20497954 0.89 KMT2A (0.51) KMT2AL3MBTL1PDE4BHSD11B1CHRM4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8618103-B2 Inhibitors of JAK HOFFMANN-LA ROCHE INC. (US) 2013-12-31 — — US disclosed
EP-2475667-A1 INHIBITORS OF JAK F. Hoffmann-La Roche AG (CH) 2012-07-18 — — EP disclosed
US-8012974-B2 Pyrrolopyrazinyl urea kinase inhibitors ROCHE PALO ALTO LLC (US) 2011-09-06 — — US disclosed
WO-2011029804-A1 INHIBITORS OF JAK F. HOFFMANN-LA ROCHE AG (CH) 2011-03-17 — — WO disclosed
US-20110059118-A1 INHIBITORS OF JAK DE VICENTE FIDALGO JAVIER 2011-03-10 — — US disclosed
US-20100144745-A1 Pyrrolopyrazinyl Urea Kinase Inhibitors ROCHE PALO ALTO LLC 2010-06-10 — — 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-20110059118-A1 INHIBITORS OF JAK JAK1, JAK3, JAK2 KMT2A 523/4885L3MBTL1 2592/4885PDE4B 2869/4885
US-20100144745-A1 Pyrrolopyrazinyl Urea Kinase Inhibitors JAK1, JAK3, ULK3 KMT2A 1814/4885L3MBTL1 3474/4885PDE4B 1712/4885

“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.