SCHEMBL20181441

SCHEMBL20181441

CCOP(=O)(O)N[C@@H](C)C(=O)OC(C)C

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BTN3A1 O00481 3/20 0.36
TSHR P16473 3/20 0.34
KDM4E B2RXH2 2/20 0.34
ALDH1A1 P00352 1/20 0.34
CA12 O43570 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA9 Q16790 1/20 0.33
PPARD Q03181 1/20 0.32
GAA P10253 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
FBP1 P09467 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31
MMP1 P03956 1/20 0.31
MMP2 P08253 1/20 0.31
MMP3 P08254 1/20 0.31
PPARG P37231 1/20 0.31
NCOA2 Q15596 1/20 0.31

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
SCHEMBL25766831 0.83 TSHR (0.37) BTN3A1TSHRKDM4EALDH1A1CA12
SCHEMBL25766390 0.81 TP53 (0.36) BTN3A1TSHRKDM4EALDH1A1CA12
SCHEMBL28275107 0.81 BTN3A1 (0.37) BTN3A1TSHRKDM4EALDH1A1CA12
SCHEMBL16991699 0.81 BTN3A1 (0.37) BTN3A1TSHRKDM4EALDH1A1CA12
SCHEMBL26367006 0.80 ALDH1A1 (0.43) TSHRKDM4EALDH1A1CA12CA1
SCHEMBL16026166 0.80 PPARG (0.36) BTN3A1TSHRKDM4EALDH1A1CA12
SCHEMBL18563093 0.80 PPARG (0.36) BTN3A1TSHRKDM4EALDH1A1CA12
SCHEMBL31211706 0.79 ACE (0.41) BTN3A1TSHRKDM4EALDH1A1CA12
SCHEMBL20181443 0.79 BTN3A1 (0.35) BTN3A1TSHRKDM4EALDH1A1CA12
SCHEMBL25475677 0.75 ALDH1A1 (0.41) TSHRALDH1A1CA12CA1CA2

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-20190276481-A1 Liver Prodrugs of Mitochondrial Proton Ionophores NEUROVIVE PHARMACEUTICAL AB (SE) 2019-09-12 US 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 BTN3A1 4270/4885TSHR 3287/4885KDM4E 2666/4885

“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.