SCHEMBL14870985

SCHEMBL14870985

CC(C)C(=O)Oc1ccc(CO[Si](C)(C)C(C)(C)C)cc1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ELANE P08246 3/20 0.47
ALOX15 P16050 1/20 0.38
HTR2A P28223 1/20 0.37
ATM Q13315 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
BTN3A1 O00481 1/20 0.37
PTGS2 P35354 1/20 0.36
BACE1 P56817 1/20 0.36
ADRB2 P07550 1/20 0.35
ADRA2A P08913 1/20 0.35
DRD2 P14416 1/20 0.35
ADRA2C P18825 1/20 0.35
DRD1 P21728 1/20 0.35
ADRA1A P35348 1/20 0.35
DRD3 P35462 1/20 0.35
PRSS1 P07477 2/20 0.34
TMPRSS15 P98073 2/20 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
SCHEMBL12909500 0.87 LMNA (0.44) ELANEBACE1
SCHEMBL18613360 0.82 KMT2A (0.49) ELANEBACE1DRD2
SCHEMBL28711315 0.82 ELANE (0.41) ELANEBACE1PRSS1TMPRSS15
SCHEMBL20168323 0.79 ELANE (0.56) ELANEALOX15HTR2APTGS2
SCHEMBL32673207 0.78 BACE1 (0.40) ELANEBTN3A1BACE1
SCHEMBL16610043 0.78 MAPT (0.55) ELANEL3MBTL1
SCHEMBL18613361 0.78 KMT2A (0.44) ELANEL3MBTL1
SCHEMBL16610054 0.77 SMN1; SMN2 (0.51) PRSS1
SCHEMBL18020584 0.77 PRSS1 (0.46) ATML3MBTL1PRSS1
SCHEMBL2882196 0.75 PTGS2 (0.51) HTR2APTGS2

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-20130096092-A1 THIOETHER PRODRUG COMPOSITIONS AS ANTI-HIV AND ANTI-RETROVIRAL AGENTS HEALTH AND HUMAN SERVICES (US) 2013-04-18 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-20130096092-A1 THIOETHER PRODRUG COMPOSITIONS AS ANTI-HIV AND ANTI-RETROVIRAL AGENTS SLC30A7, SLC30A6, SLC39A7 ELANE 1818/4885ALOX15 2617/4885HTR2A 4878/4885

“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.