SCHEMBL20181544

SCHEMBL20181544

CCOC(=O)[C@H](C)NP(=O)(O)N[C@@H](C)C(=O)OCC

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MGAM O43451 1/20 0.39
GAA P10253 1/20 0.39
SI P14410 1/20 0.39
MGAM2 Q2M2H8 1/20 0.39
BTN3A1 O00481 4/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
METAP2 P50579 8/20 0.37
METAP1 P53582 6/20 0.37
ALDH1A1 P00352 2/20 0.37
LMNA P02545 1/20 0.36
HSD17B10 Q99714 1/20 0.36
MMP1 P03956 1/20 0.35
MMP2 P08253 1/20 0.35
MMP3 P08254 1/20 0.35
FBP1 P09467 1/20 0.35

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
SCHEMBL28273778 1.00 MGAM (0.39) MGAMGAASIMGAM2BTN3A1
SCHEMBL21343018 0.88 ALDH1A1 (0.40) MGAMGAASIMGAM2BTN3A1
SCHEMBL27494852 0.88 MGAM (0.39) MGAMGAASIMGAM2BTN3A1
SCHEMBL12746431 0.86 BTN3A1 (0.39) MGAMGAASIMGAM2BTN3A1
SCHEMBL19225305 0.83 MGAM (0.39) MGAMGAASIMGAM2BTN3A1
SCHEMBL12746435 0.83 MGAM (0.39) MGAMGAASIMGAM2BTN3A1
SCHEMBL13633863 0.83 MGAM (0.39) MGAMGAASIMGAM2BTN3A1
SCHEMBL22300379 0.82 BTN3A1 (0.39) MGAMGAASIMGAM2BTN3A1
SCHEMBL20144184 0.82 ALDH1A1 (0.41) MGAMGAASIMGAM2BTN3A1
SCHEMBL12176868 0.81 BTN3A1 (0.36) MGAMGAASIMGAM2BTN3A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109305990-B Phosphoric acid derivative, preparation method and application 四川海思科制药有限公司 2021-02-26 CN disclosed
CN-109305989-B Phosphamide derivative and preparation method and application thereof 四川海思科制药有限公司 2021-02-26 CN disclosed
CN-110938094-A Preparation method and application of thyroid hormone receptor β subtype agonist derivative 四川海思科制药有限公司 2020-03-31 CN disclosed
US-20190276481-A1 Liver Prodrugs of Mitochondrial Proton Ionophores NEUROVIVE PHARMACEUTICAL AB (SE) 2019-09-12 US disclosed
CN-109305989-A A kind of phosphinylidyne amine derivative and preparation method and purposes 四川海思科制药有限公司 2019-02-05 CN disclosed
CN-109305990-A A kind of phosphoric acid derivatives and preparation method and purposes 四川海思科制药有限公司 2019-02-05 CN disclosed
WO-2018091633-A1 LIVER PRODRUGS OF MITOCHONDRIAL PROTON IONOPHORES NEUROVIVE PHARMACEUTICAL AB (SE) 2018-05-24 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-20190276481-A1 Liver Prodrugs of Mitochondrial Proton Ionophores GLS2, CYP27A1, SLC25A21 MGAM 1707/4885GAA 615/4885SI 490/4885

“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.