SCHEMBL22130941

SCHEMBL22130941

CC=CN(C(=O)OC(C)(C)C)c1ccccc1I

nearest known ligand 0.37

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ AKT1 P31749 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.31
▸ TSHR P16473 1/20 0.31
▸ HSD17B10 Q99714 1/20 0.31
▸ TDP1 Q9NUW8 1/20 0.31
▸ L3MBTL1 Q9Y468 2/20 0.31
▸ PAX8 Q06710 1/20 0.30
▸ BCHE P06276 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
SCHEMBL30785244 0.81 L3MBTL1 (0.31) AKT1L3MBTL1
SCHEMBL27867642 0.79 MEN1 (0.37) AKT1ALDH1A1TSHRHSD17B10TDP1
SCHEMBL17183930 0.79 AKT1 (0.35) AKT1ALDH1A1TSHRHSD17B10TDP1
SCHEMBL29837226 0.77 PAX8 (0.41) AKT1ALDH1A1TSHRL3MBTL1PAX8
SCHEMBL29837166 0.75 MT-CO2 (0.41) AKT1TDP1L3MBTL1PAX8BCHE
SCHEMBL29009658 0.72 L3MBTL1 (0.38) AKT1ALDH1A1TSHRL3MBTL1
SCHEMBL29009665 0.71 LMNA (0.38) L3MBTL1
SCHEMBL29837260 0.71 HDAC3 (0.36) AKT1ALDH1A1L3MBTL1
SCHEMBL29837152 0.71 MT-CO2 (0.39) AKT1TDP1L3MBTL1PAX8BCHE
SCHEMBL29805724 0.71 MEN1 (0.37) AKT1L3MBTL1PAX8BCHE

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-10688081-B2 Autotaxin inhibitor compounds SABRE THERAPEUTICS LLC (US) 2020-06-23 — — 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-10688081-B2 Autotaxin inhibitor compounds ENPP2, SERPINB1, SERPINE1 AKT1 4070/4885ALDH1A1 4720/4885TSHR 3066/4885

“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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