SCHEMBL7433978

SCHEMBL7433978

O=C(OCc1ccccc1)[C@@H]1CC(O)CN1C(=O)OCc1ccccc1

nearest known ligand 0.61

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.61
FKBP1A P62942 3/20 0.46
PSEN1 P49768 1/20 0.46
PSEN2 P49810 1/20 0.46
APH1B Q8WW43 1/20 0.46
NCSTN Q92542 1/20 0.46
APH1A Q96BI3 1/20 0.46
PSENEN Q9NZ42 1/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
HTR2C P28335 1/20 0.45
CYP2C19 P33261 1/20 0.44
PREP P48147 2/20 0.44
ALDH1A1 P00352 1/20 0.44

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
SCHEMBL2678864 1.00 POLB (0.61) POLBFKBP1APSEN1PSEN2APH1B
SCHEMBL23485199 1.00 POLB (0.61) POLBFKBP1APSEN1PSEN2APH1B
SCHEMBL30564487 1.00 POLB (0.61) POLBFKBP1APSEN1PSEN2APH1B
SCHEMBL8477698 0.92 POLB (0.62) POLBFKBP1APSEN1PSEN2APH1B
SCHEMBL8477564 0.92 POLB (0.62) POLBFKBP1APSEN1PSEN2APH1B
SCHEMBL8477557 0.92 POLB (0.62) POLBFKBP1APSEN1PSEN2APH1B
SCHEMBL8482480 0.92 POLB (0.62) POLBFKBP1APSEN1PSEN2APH1B
SCHEMBL8477697 0.92 POLB (0.62) POLBFKBP1APSEN1PSEN2APH1B
SCHEMBL7310404 0.92 POLB (0.62) POLBFKBP1APSEN1PSEN2APH1B
SCHEMBL20179 0.91 POLB (0.64) POLBFKBP1ASMN1; SMN2NPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108786915-B Preparation method and application of solid condensation catalyst 山东新和成药业有限公司 2021-05-04 CN claimed
CN-108786915-A A kind of preparation method and purposes of solid condensation catalyst 山东新和成药业有限公司 2018-11-13 CN claimed
CN-108786915-B Preparation method and application of solid condensation catalyst 山东新和成药业有限公司 2021-05-04 CN disclosed
CN-108786915-A A kind of preparation method and purposes of solid condensation catalyst 山东新和成药业有限公司 2018-11-13 CN disclosed
US-9512074-B2 Radiolabeled inhibitors of the amino acid transporters ASCT1 and ASCT2 THE UNIVERSITY OF MONTANA (US) 2016-12-06 US disclosed
US-20150056138-A1 Radiolabeled Inhibitors of the Amino Acid Transporters ASCT1 and ASCT2 THE UNIVERSITY OF MONTANA 2015-02-26 US disclosed
US-8895607-B2 Inhibitors of the amino acid transporters ASCT1 and ASCT2 THE UNIVERSITY OF MONTANA (US) 2014-11-25 US disclosed
US-20130065935-A1 Novel Inhibitors of the Amino Acid Transporters ASCT1 and ASCT2 THE UNIVERSITY OF MONTANA 2013-03-14 US disclosed
EP-0384636-A1 Pharmaceutically active compounds FISONS plc (GB) 1990-08-29 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 (2 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-20130065935-A1 Novel Inhibitors of the Amino Acid Transporters ASCT1 and ASCT2 SLC1A2, SLC1A1, SLC1A3 POLB 3030/4885FKBP1A 3599/4885PSEN1 2460/4885
US-20150056138-A1 Radiolabeled Inhibitors of the Amino Acid Transporters ASCT1 and ASCT2 SLC1A2, SLC1A1, SLC1A3 POLB 2877/4885FKBP1A 3208/4885PSEN1 2508/4885

“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.