SCHEMBL4507875

SCHEMBL4507875

COc1ccc(COCc2cccc(I)c2)cc1

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ APP P05067 4/20 0.53
▸ IDO1 P14902 6/20 0.51
▸ TDP1 Q9NUW8 1/20 0.48
▸ L3MBTL1 Q9Y468 1/20 0.48
▸ MAOB P27338 4/20 0.46
▸ AGXT P21549 4/20 0.46
▸ LTA4H P09960 1/20 0.46
▸ ANO1 Q5XXA6 1/20 0.45
▸ TACR1 P25103 1/20 0.44
▸ TP53 P04637 1/20 0.43
▸ PKM P14618 1/20 0.43
▸ NFKB1 P19838 1/20 0.43
▸ RAB9A P51151 1/20 0.43
▸ NFKB2 Q00653 1/20 0.43
▸ RELA Q04206 1/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.43
▸ MRGPRX4 Q96LA9 1/20 0.43
▸ RXFP1 Q9HBX9 1/20 0.43

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
SCHEMBL5250014 1.00 APP (0.53) APPIDO1TDP1L3MBTL1MAOB
SCHEMBL7892498 0.84 IDO1 (0.69) IDO1MAOBAGXTTACR1RAB9A
SCHEMBL29880282 0.83 LTA4H (0.63) APPIDO1TDP1MAOBLTA4H
SCHEMBL19684429 0.83 TDP1 (0.50) IDO1TDP1L3MBTL1MAOBAGXT
SCHEMBL28131753 0.83 LTA4H (0.63) APPIDO1TDP1MAOBLTA4H
SCHEMBL15687841 0.82 TSHR (0.62) APPIDO1MAOBAGXTTACR1
SCHEMBL12526332 0.80 MAOB (0.62) IDO1TDP1L3MBTL1MAOBAGXT
SCHEMBL29442637 0.80 TDP1 (0.48) IDO1TDP1L3MBTL1MAOBAGXT
SCHEMBL12951814 0.80 TDP1 (0.48) IDO1TDP1L3MBTL1MAOBAGXT
SCHEMBL28360324 0.80 TDP1 (0.48) IDO1TDP1L3MBTL1MAOBAGXT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7572817-B2 2,5-disubstituted 3-mercaptopentanoic acid ASTRAZENECA AB (SE) 2009-08-11 — — US disclosed
US-20050176780-A1 2,5-disubstituted 3-mercaptopentanoic acid ASTRAZENECA AB (SE) 2005-08-11 — — US disclosed
EP-1532111-A1 2,5-DISUBSTITUTED 3-MERCAPTOPENTANOIC ACID AstraZeneca AB (SE) 2005-05-25 — — EP disclosed
WO-2003106420-A1 2,5-DISUBSTITUTED 3-MERCAPTOPENTANOIC ACID ASTRAZENECA AB (SE) 2003-12-24 — — WO 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-20050176780-A1 2,5-disubstituted 3-mercaptopentanoic acid METAP1, MPST, DNPEP APP 1262/4885IDO1 373/4885TDP1 2854/4885

“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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