SCHEMBL13780758

SCHEMBL13780758

C[C@H](NC(=O)[C@@H](C)Oc1ccc2c(-c3ccccc3)cc(=O)oc2c1)C(=O)O

nearest known ligand 0.78

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 7/20 0.78
▸ HPGD P15428 6/20 0.78
▸ KDM4E B2RXH2 3/20 0.65
▸ RECQL P46063 2/20 0.65
▸ GAA P10253 2/20 0.62
▸ KMT2A Q03164 1/20 0.60
▸ USP2 O75604 1/20 0.57
▸ LMNA P02545 1/20 0.57
▸ HTT P42858 1/20 0.57
▸ CA9 Q16790 1/20 0.56
▸ SMN1; SMN2 Q16637 1/20 0.56
▸ RAB9A P51151 1/20 0.55

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
SCHEMBL21629521 0.91 ALDH1A1 (0.77) ALDH1A1HPGDKDM4ERECQLGAA
SCHEMBL13780769 0.90 ALDH1A1 (0.74) ALDH1A1HPGDKDM4ERECQLGAA
SCHEMBL21629593 0.89 ALDH1A1 (0.73) ALDH1A1HPGDKDM4ERECQLGAA
SCHEMBL13780692 0.89 ALDH1A1 (0.73) ALDH1A1HPGDKDM4ERECQLGAA
SCHEMBL21629570 0.88 ALDH1A1 (0.79) ALDH1A1HPGDKDM4ERECQLGAA
SCHEMBL21629541 0.88 ALDH1A1 (1.00) ALDH1A1HPGDKDM4ERECQLKMT2A
SCHEMBL21629540 0.88 ALDH1A1 (1.00) ALDH1A1HPGDKDM4ERECQLKMT2A
SCHEMBL13780714 0.86 ALDH1A1 (0.69) ALDH1A1HPGDKDM4ERECQLGAA
SCHEMBL21629562 0.86 ALDH1A1 (0.76) ALDH1A1HPGDKDM4ERECQLGAA
SCHEMBL21629599 0.85 ALDH1A1 (0.74) ALDH1A1HPGDKDM4ERECQLGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090175805-A1 Neuraminidase Inhibitors and uses thereof THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2009-07-09 — — US disclosed
US-20090175805-A1 Neuraminidase Inhibitors and uses thereof THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2009-07-09 — — 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-20090175805-A1 Neuraminidase Inhibitors and uses thereof ENGASE, NEU1, NEU2 ALDH1A1 867/4885HPGD 754/4885KDM4E 2155/4885

“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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