SCHEMBL3971910

SCHEMBL3971910

CC1(CO)Cc2ccccc2C(=O)O1

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
LMNA P02545 1/20 0.51
TP53 P04637 2/20 0.51
MAPK1 P28482 2/20 0.49
TSHR P16473 2/20 0.49
RAB9A P51151 1/20 0.49
MAPT P10636 1/20 0.48
HTT P42858 1/20 0.46
UTS2R Q9UKP6 3/20 0.44
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
USP2 O75604 1/20 0.43
ALOX15 P16050 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43

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
SCHEMBL2732986 0.80 TP53 (0.49) POLBL3MBTL1LMNATP53MAPK1
SCHEMBL10974562 0.77 CYP2D6 (0.39) LMNATSHRHTTMEN1KMT2A
SCHEMBL1110064 0.77 POLB (0.54) POLBL3MBTL1LMNATP53MAPK1
SCHEMBL14919416 0.74 POLB (0.51) POLBL3MBTL1LMNATP53MAPK1
SCHEMBL4256475 0.74 POLB (0.51) POLBL3MBTL1LMNATP53MAPK1
SCHEMBL8076792 0.72 HTT (0.47) POLBL3MBTL1LMNARAB9AMAPT
SCHEMBL28668767 0.71 POLB (0.52) POLBL3MBTL1LMNATP53MAPK1
SCHEMBL16503885 0.69 POLB (0.47) POLBL3MBTL1LMNATP53MAPK1
SCHEMBL15630925 0.68 LMNA (0.64) POLBL3MBTL1LMNAMAPK1TSHR
SCHEMBL28929688 0.68 MAPT (0.56) POLBL3MBTL1LMNATP53MAPK1

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-2009052191-A1 INTERNALLY MASKED NEOPENTYL SULFONYL ESTER CYCLIZATION RELEASE PRODRUGS OF ACAMPROSATE, COMPOSITIONS THEREOF, AND METHODS OF USE XENOPORT, INC. (US) 2009-04-23 WO disclosed
US-20090099253-A1 Internally Masked Neopentyl Sulfonyl Ester Cyclization Release Prodrugs of Acamprosate, Compositions Thereof, and Methods of Use XENOPORT, INC. (US) 2009-04-16 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-20090099253-A1 Internally Masked Neopentyl Sulfonyl Ester Cyclization Release Prodrugs of Acamprosate, Compositions Thereof, and Methods of Use SI, AASDHPPT, PSAP POLB 3289/4885L3MBTL1 4203/4885LMNA 2108/4885

“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.