SCHEMBL1808284

SCHEMBL1808284

O=c1ccc(CC(O)=S)n[nH]1

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 5/20 0.41
▸ CYP1A2 P05177 2/20 0.40
▸ AKR1B1 P15121 2/20 0.37
▸ LMNA P02545 3/20 0.36
▸ KDM4E B2RXH2 1/20 0.36
▸ HPGD P15428 1/20 0.36
▸ POLB P06746 1/20 0.36
▸ MEN1 O00255 2/20 0.34
▸ ALDH1A1 P00352 3/20 0.34
▸ HTT P42858 2/20 0.34
▸ PKM P14618 1/20 0.34
▸ TDP1 Q9NUW8 1/20 0.34
▸ L3MBTL1 Q9Y468 2/20 0.33
▸ GAA P10253 1/20 0.31

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
SCHEMBL1806489 0.79 LMNA (0.38) KMT2AAKR1B1LMNAPOLBMEN1
SCHEMBL1806488 0.73 POLB (0.39) KMT2ACYP1A2AKR1B1LMNAKDM4E
SCHEMBL5678779 0.72 ALDH1A1 (0.41) KMT2ACYP1A2MEN1ALDH1A1HTT
SCHEMBL6929009 0.71 — —
SCHEMBL1809844 0.70 POLB (0.38) KMT2ACYP1A2LMNAPOLBMEN1
SCHEMBL4245618 0.69 RAB9A (0.51) KMT2AAKR1B1LMNAKDM4EHPGD
SCHEMBL8481242 0.68 MAPT (0.46) KMT2ACYP1A2AKR1B1LMNAKDM4E
SCHEMBL12776119 0.67 KMT2A (0.42) KMT2ACYP1A2AKR1B1LMNAKDM4E
SCHEMBL19323251 0.67 TSHR (0.42) KMT2ACYP1A2AKR1B1LMNAKDM4E
SCHEMBL4240902 0.65 AKR1B1 (0.45) KMT2ACYP1A2AKR1B1MEN1HTT

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-1801108-B9 MORPHOLINE COMPOUNDS FOR THE TREATMENT OF INFLAMMATIONS MITSUBISHI TANABE PHARMA CORP (JP) 2013-11-20 — — EP disclosed
EP-1801108-B1 MORPHOLINE COMPOUNDS FOR THE TREATMENT OF INFLAMMATIONS MITSUBISHI TANABE PHARMA CORP (JP) 2012-11-14 — — EP disclosed
US-7935700-B2 Morpholine compound MITSUBISHI TANABE PHARMA CORPORATION (JP) 2011-05-03 — — US disclosed
US-20070265257-A1 Morpholine Compound MITSUBISHI PHARMA CORPORATION (JP) 2007-11-15 — — US disclosed
EP-1801108-A1 MORPHOLINE COMPOUND Mitsubishi Pharma Corporation (JP) 2007-06-27 — — 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-20070265257-A1 Morpholine Compound CCR3, CCR1, CCR4 KMT2A 1652/4885CYP1A2 533/4885AKR1B1 2382/4885

“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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