SCHEMBL20110965

SCHEMBL20110965

COc1c(C)c(C)c(C)c(OC(C)=O)c1/C(C)=C(\C)C(=O)S

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.39
ABCB11 O95342 1/20 0.33
PDE4A P27815 1/20 0.32
PDE4B Q07343 1/20 0.32
PDE4C Q08493 1/20 0.32
PDE4D Q08499 1/20 0.32
PSMG3 Q9BT73 1/20 0.31
GRIN2D O15399 1/20 0.31
GRIN3B O60391 1/20 0.31
GRIN1 Q05586 1/20 0.31
GRIN2A Q12879 1/20 0.31
GRIN2B Q13224 1/20 0.31
GRIN2C Q14957 1/20 0.31
GRIN3A Q8TCU5 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
SCHEMBL20110959 0.88 PSMG3 (0.33) PSMG3
SCHEMBL13134484 0.71 LMNA (0.42) POLB
SCHEMBL9507056 0.69 LMNA (0.44) POLB
SCHEMBL20110957 0.67 CYP3A4 (0.32)
SCHEMBL12157049 0.65 PSMG3 (0.49) POLBPSMG3
SCHEMBL5865884 0.64 LMNA (0.44) POLB
SCHEMBL28659567 0.63 POLB (0.57) POLBPSMG3
SCHEMBL6768198 0.63 ABCB11 (0.36) POLBABCB11PDE4APDE4BPDE4C
SCHEMBL12157050 0.62 SMN1; SMN2 (0.46) POLBPSMG3
SCHEMBL14580035 0.62 POLB (0.44) POLBABCB11PDE4APDE4BPDE4C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180118674-A1 HYDROGEN SULFIDE PRECURSORS AND CONJUGATES THEREOF GEORGIA STATE UNIVERSITY RESEARCH FOUNDATION, INC (US) 2018-05-03 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 (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-20180118674-A1 HYDROGEN SULFIDE PRECURSORS AND CONJUGATES THEREOF CBS, TST, STS POLB 4251/4885ABCB11 2669/4885PDE4A 4503/4885

“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.