SCHEMBL2403850

SCHEMBL2403850

CCOP(=O)(CC(=O)Nc1ccc(C(=O)OC)cc1)OCC

nearest known ligand 0.62

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 6/20 0.62
▸ KMT2A Q03164 6/20 0.62
▸ LMNA P02545 4/20 0.59
▸ RAB9A P51151 4/20 0.52
▸ NPC1 O15118 1/20 0.52
▸ MAPT P10636 4/20 0.51
▸ ALDH1A1 P00352 4/20 0.51
▸ HPGD P15428 2/20 0.51
▸ MAPK1 P28482 1/20 0.50
▸ GAA P10253 1/20 0.50
▸ TSHR P16473 1/20 0.50

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
SCHEMBL10951354 0.90 TSHR (0.63) MEN1KMT2ARAB9ANPC1MAPT
SCHEMBL5598097 0.82 MEN1 (0.54) MEN1KMT2ALMNAMAPTALDH1A1
SCHEMBL10952765 0.82 NPSR1 (0.53) RAB9ANPC1MAPTALDH1A1HPGD
SCHEMBL13966687 0.80 NPC1 (0.53) MEN1KMT2ARAB9ANPC1MAPT
SCHEMBL12319372 0.80 POLB (0.42) MEN1KMT2ALMNAMAPTALDH1A1
SCHEMBL3447255 0.79 LMNA (0.50) MEN1KMT2ALMNARAB9AGAA
SCHEMBL8401925 0.78 KMT2A (0.79) MEN1KMT2ALMNARAB9ANPC1
SCHEMBL8661871 0.76 MEN1 (0.82) MEN1KMT2ALMNARAB9ANPC1
SCHEMBL73418 0.76 LOXL2 (0.53) MEN1KMT2ALMNARAB9ANPC1
SCHEMBL11055062 0.75 MAPT (0.53) MEN1KMT2ALMNARAB9AMAPT

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-8722730-B2 5-membered heterocyclic compound RESEARCH FOUNDATION ITSUU LABORATORY (JP) 2014-05-13 — — US disclosed
US-8722730-B2 5-membered heterocyclic compound RESEARCH FOUNDATION ITSUU LABORATORY (JP) 2014-05-13 — — US disclosed
US-20110213156-A1 5-MEMBERED HETEROCYCLIC COMPOUND RESEARCH FOUNDATION ITSUU LABORATORY (JP) 2011-09-01 — — US disclosed
US-20110213156-A1 5-MEMBERED HETEROCYCLIC COMPOUND RESEARCH FOUNDATION ITSUU LABORATORY (JP) 2011-09-01 — — US disclosed
EP-2189445-A1 FIVE-MEMBERED HETEROCYCLIC COMPOUND Research Foundation Itsuu Laboratory (JP) 2010-05-26 — — EP disclosed
EP-2189445-A1 FIVE-MEMBERED HETEROCYCLIC COMPOUND Research Foundation Itsuu Laboratory (JP) 2010-05-26 — — 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-20110213156-A1 5-MEMBERED HETEROCYCLIC COMPOUND RXRA, RXRG, RXRB MEN1 1614/4885KMT2A 2788/4885LMNA 783/4885

“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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