SCHEMBL10171866

SCHEMBL10171866

O=C1CCN(C(=O)OI)CC1

nearest known ligand 0.33

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
LIPE Q05469 1/20 0.33
PKM P14618 1/20 0.33
KMT2A Q03164 1/20 0.33
POLB P06746 2/20 0.32
ALDH1A1 P00352 1/20 0.32
HSP90AA1 P07900 1/20 0.31
MGLL Q99685 1/20 0.30

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
SCHEMBL12634117 0.79 LIPE (0.34) LIPEPKMKMT2APOLBALDH1A1
SCHEMBL612354 0.77 L3MBTL1 (0.44) PKMKMT2AALDH1A1
SCHEMBL27805998 0.77 HSP90AA1 (0.34) LIPEPKMKMT2APOLBALDH1A1
SCHEMBL5807215 0.77 LIPE (0.33) LIPEPKMKMT2APOLBALDH1A1
SCHEMBL5734834 0.77 LIPE (0.37) LIPEPKMKMT2APOLBALDH1A1
Hydrochloric Acid SCHEMBL3319581 0.76 L3MBTL1 (0.43) PKMKMT2AALDH1A1
SCHEMBL12331158 0.75
SCHEMBL158497 0.74 TSHR (0.55) KMT2APOLBALDH1A1
SCHEMBL10863945 0.74 LIPE (0.39) LIPEMGLL
Iodomethane SCHEMBL15848230 0.74 USP2 (0.53) KMT2AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120016119-A1 NOVEL PYRROLO(2,3-d)PYRIMIDINE COMPOUND MITSUBISHI TANABE PHARMA CORPORATION (JP) 2012-01-19 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-20120016119-A1 NOVEL PYRROLO(2,3-d)PYRIMIDINE COMPOUND GPR119, GPR139, HCAR1 LIPE 3000/4885PKM 4251/4885KMT2A 2953/4885

“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.