SCHEMBL3586048

SCHEMBL3586048

NC(CO)(CO)COC(=O)c1ccc(COc2cc(-c3ccco3)cc(-c3cccs3)n2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TOP1 P11387 1/20 0.48
▸ POLB P06746 4/20 0.39
▸ MEN1 O00255 3/20 0.39
▸ KMT2A Q03164 3/20 0.39
▸ GAA P10253 2/20 0.39
▸ S1PR1 P21453 2/20 0.36
▸ S1PR3 Q99500 1/20 0.36
▸ MYC P01106 1/20 0.36
▸ ADORA2A P29274 1/20 0.36
▸ ADORA2B P29275 1/20 0.36
▸ ADORA1 P30542 1/20 0.36
▸ TNFRSF1A P19438 1/20 0.36
▸ MAPT P10636 8/20 0.35
▸ TSHR P16473 2/20 0.35
▸ ALDH1A1 P00352 3/20 0.35
▸ NPC1 O15118 1/20 0.35
▸ RAB9A P51151 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ KDM4E B2RXH2 1/20 0.34
▸ USP2 O75604 1/20 0.34

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
Tromethamine SCHEMBL3586045 0.89 TOP1 (0.51) TOP1POLBMEN1KMT2AGAA
SCHEMBL3597993 0.85 TOP1 (0.57) TOP1POLBMEN1KMT2AGAA
SCHEMBL14392096 0.75 TOP1 (0.70) TOP1POLBMEN1KMT2AGAA
SCHEMBL3590068 0.74 TNFRSF1A (0.36) POLBMEN1KMT2AGAAADORA2A
SCHEMBL3585207 0.73 MAPT (0.40) POLBMEN1KMT2AGAAADORA2A
SCHEMBL3585430 0.71 TNFRSF1A (0.36) POLBMEN1KMT2AGAAADORA2A
SCHEMBL14392248 0.70 TOP1 (0.58) TOP1POLBMEN1KMT2AGAA
SCHEMBL3595971 0.70 ADORA2A (0.49) TOP1POLBMEN1KMT2AGAA
SCHEMBL3594101 0.69 MEN1 (0.45) TOP1POLBMEN1KMT2AGAA
SCHEMBL3585056 0.69 POLB (0.39) TOP1POLBMEN1KMT2AGAA

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-20100009973-A1 Integrase Inhibitors 3 AVEXA LIMITED (AU) 2010-01-14 — — 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-20100009973-A1 Integrase Inhibitors 3 TYMP, IMPDH1, IMPDH2 TOP1 63/4885POLB 66/4885MEN1 3516/4885

“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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