SCHEMBL363900

SCHEMBL363900

COc1ccc(C(=O)C[C@H](c2ccc(C3CCN(C(=O)OC(C)(C)C)CC3)cc2)c2ccccc2C)cn1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ GPR119 Q8TDV5 3/20 0.46
▸ JAK2 O60674 2/20 0.42
▸ JAK3 P52333 2/20 0.42
▸ PTK2 Q05397 2/20 0.42
▸ NAMPT P43490 1/20 0.42
▸ HPGDS O60760 2/20 0.41
▸ MMP13 P45452 1/20 0.40
▸ TP53 P04637 3/20 0.39
▸ MAPT P10636 2/20 0.39
▸ DDB1 Q16531 1/20 0.39
▸ CRBN Q96SW2 1/20 0.39
▸ KDM4E B2RXH2 1/20 0.38
▸ PKM P14618 1/20 0.38
▸ LMNA P02545 2/20 0.38
▸ PIK3CD O00329 1/20 0.38
▸ PIK3CA P42336 1/20 0.38
▸ ALK Q9UM73 1/20 0.38
▸ THRB P10828 1/20 0.38
▸ WNT3A P56704 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
SCHEMBL1390947 1.00 GPR119 (0.46) GPR119JAK2JAK3PTK2NAMPT
SCHEMBL363429 0.90 ENPP2 (0.39) —
SCHEMBL14936621 0.87 NAMPT (0.44) GPR119NAMPTHPGDSTP53MAPT
SCHEMBL368575 0.84 GPBAR1 (0.51) GPR119NAMPTHPGDSTP53KDM4E
SCHEMBL368574 0.84 GPBAR1 (0.51) GPR119NAMPTHPGDSTP53KDM4E
SCHEMBL370011 0.83 GPR119 (0.44) GPR119NAMPTHPGDSTP53MAPT
SCHEMBL370010 0.83 GPR119 (0.44) GPR119NAMPTHPGDSTP53MAPT
SCHEMBL368537 0.83 NAMPT (0.43) GPR119NAMPTHPGDSTP53MAPT
SCHEMBL368536 0.83 NAMPT (0.43) GPR119NAMPTHPGDSTP53MAPT
SCHEMBL14937282 0.81 NAMPT (0.41) GPR119JAK2JAK3PTK2NAMPT

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
EP-2593426-B1 1-HYDROXYIMINO-3-PHENYL-PROPANES HOFFMANN LA ROCHE (CH) 2014-08-20 — — EP disclosed
US-8765730-B2 1-hydroxyimino-3-phenyl-propanes Hoffmann-La Roche Inc (US) 2014-07-01 — — US disclosed
EP-2593426-A1 1-HYDROXYIMINO-3-PHENYL-PROPANES F.HOFFMANN-LA ROCHE AG (CH) 2013-05-22 — — EP disclosed
WO-2012007365-A1 1-HYDROXYIMINO-3-PHENYL-PROPANES F. HOFFMANN-LA ROCHE AG (CH) 2012-01-19 — — WO disclosed
US-20120010190-A1 1-HYDROXYIMINO-3-PHENYL-PROPANES F. HOFFMANN-LA ROCHE AG (CH) 2012-01-12 — — 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 (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-20120010190-A1 1-HYDROXYIMINO-3-PHENYL-PROPANES GPBAR1, GPR119, ADRB1 GPR119 2/4885JAK2 2991/4885JAK3 3987/4885

“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.

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