SCHEMBL25873509

SCHEMBL25873509

CC[C@H](C)CN(C[C@@H](O)[C@H](Cc1ccc(OCc2ccccc2)cc1)NC(=O)O[C@H]1CO[C@H]2OCC[C@H]21)C(=O)OCc1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ABCB1 P08183 2/20 0.56
KCNE1 P15382 1/20 0.56
KCNQ1 P51787 1/20 0.56
KCNH2 Q12809 1/20 0.56
SCN5A Q14524 1/20 0.56
KCND3 Q9UK17 1/20 0.56
MLNR O43193 1/20 0.38
ABCB11 O95342 1/20 0.38
LMNA P02545 1/20 0.38
CTSD P07339 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP3A5 P20815 1/20 0.38
CNR1 P21554 1/20 0.38
TBXAS1 P24557 1/20 0.38
ADRA1A P35348 1/20 0.38
CTSB P07858 1/20 0.38

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
SCHEMBL24066703 1.00 ABCB1 (0.56) ABCB1KCNE1KCNQ1KCNH2SCN5A
SCHEMBL24066725 0.94 ABCB1 (0.55) ABCB1KCNE1KCNQ1KCNH2SCN5A
SCHEMBL25873517 0.94 ABCB1 (0.55) ABCB1KCNE1KCNQ1KCNH2SCN5A
SCHEMBL14440139 0.94 ABCB1 (0.62) ABCB1KCNE1KCNQ1KCNH2SCN5A
SCHEMBL24066659 0.94 ABCB1 (0.62) ABCB1KCNE1KCNQ1KCNH2SCN5A
SCHEMBL14459537 0.90 ABCB1 (0.59) ABCB1KCNE1KCNQ1KCNH2SCN5A
SCHEMBL16803020 0.89 ABCB1 (0.67) ABCB1KCNE1KCNQ1KCNH2SCN5A
SCHEMBL13140395 0.89 ABCB1 (0.67) ABCB1KCNE1KCNQ1KCNH2SCN5A
SCHEMBL8231341 0.89 ABCB1 (0.67) ABCB1KCNE1KCNQ1KCNH2SCN5A
SCHEMBL691692 0.89 ABCB1 (0.67) ABCB1KCNE1KCNQ1KCNH2SCN5A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230212203-A1 Antiviral Compounds UNIVERSITY OF MASSACHUSETTS 2023-07-06 US disclosed
US-20230212203-A1 Antiviral Compounds UNIVERSITY OF MASSACHUSETTS 2023-07-06 US disclosed
US-11542288-B2 Antiviral compounds UNIVERSITY OF MASSACHUSETTS (US) 2023-01-03 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 (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-11542288-B2 Antiviral compounds ZC3HAV1, EIF2AK2, MAVS ABCB1 411/4885KCNE1 4465/4885KCNQ1 4767/4885
US-20230212203-A1 Antiviral Compounds ZC3HAV1, EIF2AK2, MAVS ABCB1 411/4885KCNE1 4465/4885KCNQ1 4767/4885

“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.