SCHEMBL4056937

SCHEMBL4056937

CC(C)(CO[Si](C)(C)C(C)(C)C)C(=O)OCc1cccnc1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP17A1 P05093 1/20 0.43
CYP19A1 P11511 1/20 0.43
KMT2A Q03164 3/20 0.42
LMNA P02545 3/20 0.42
TDP1 Q9NUW8 1/20 0.42
RIPK1 Q13546 1/20 0.41
ALDH1A1 P00352 5/20 0.41
MAPT P10636 2/20 0.40
HTT P42858 2/20 0.40
MEN1 O00255 1/20 0.40
HDAC1 Q13547 2/20 0.40
FAAH O00519 1/20 0.39
NAPRT Q6XQN6 1/20 0.39
NAMPT P43490 1/20 0.39
CYP3A4 P08684 2/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2C9 P11712 1/20 0.39
HDAC3 O15379 1/20 0.39
HDAC2 Q92769 1/20 0.39

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
SCHEMBL3955156 0.81 LMNA (0.48) CYP17A1CYP19A1KMT2ALMNATDP1
SCHEMBL12934601 0.81 RIPK1 (0.57) CYP17A1CYP19A1KMT2ALMNATDP1
SCHEMBL3147948 0.80 KMT2A (0.51) CYP17A1CYP19A1KMT2ALMNATDP1
SCHEMBL5398670 0.79 CHRNB2 (0.44) TDP1NAPRTCYP1A2
SCHEMBL10812367 0.77 TBXAS1 (0.49) CYP17A1CYP19A1KMT2ALMNATDP1
SCHEMBL4052172 0.76 NPC1 (0.45) LMNAALDH1A1MAPTHDAC1CYP3A4
SCHEMBL6834933 0.75 ALDH1A1 (0.46) KMT2ALMNATDP1ALDH1A1MEN1
SCHEMBL16369868 0.74 ALDH1A1 (0.45) KMT2ALMNATDP1ALDH1A1MEN1
SCHEMBL4665010 0.74 CYP17A1 (0.46) CYP17A1CYP19A1KMT2ALMNATDP1
SCHEMBL4665006 0.74 CYP17A1 (0.46) CYP17A1CYP19A1KMT2ALMNATDP1

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
WO-2009033061-A1 MASKED CARBOXYLATE NEOPENTYL SULFONYL ESTER CYCLIZATION RELEASE PRODRUGS OF ACAMPROSATE, COMPOSITIONS THEREOF, AND METHODS OF USE XENOPORT, INC. (US) 2009-03-12 WO disclosed
US-20090069419-A1 MASKED CARBOXYLATE NEOPENTYL SULFONYL ESTER CYCLIZATION RELEASE PRODRUGS OF ACAMPROSATE, COMPOSITIONS THEREOF, AND METHODS OF USE XENOPORT, INC. 2009-03-12 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-20090069419-A1 MASKED CARBOXYLATE NEOPENTYL SULFONYL ESTER CYCLIZATION RELEASE PRODRUGS OF ACAMPROSATE, COMPOSITIONS THEREOF, AND METHODS OF USE ADSL, AASDHPPT, ACMSD CYP17A1 1043/4885CYP19A1 1386/4885KMT2A 3464/4885

“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.