SCHEMBL2906460

SCHEMBL2906460

[CH2]CCOC(=O)Cc1ccccc1

nearest known ligand 0.63

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.63
MAPK1 P28482 1/20 0.63
L3MBTL1 Q9Y468 1/20 0.63
PAM P19021 1/20 0.61
TDP1 Q9NUW8 1/20 0.53
TSHR P16473 1/20 0.50
KMT2A Q03164 1/20 0.49
CES2 O00748 1/20 0.48
CES1 P23141 1/20 0.48
AKR1B1 P15121 1/20 0.48
ALOX5 P09917 1/20 0.48
MGLL Q99685 2/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
ADRB2 P07550 1/20 0.44
ADRB1 P08588 1/20 0.44
ADRB3 P13945 1/20 0.44

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
SCHEMBL4207976 0.89 ALDH1A1 (0.59) ALDH1A1MAPK1L3MBTL1PAMTDP1
SCHEMBL1434644 0.88 ALDH1A1 (0.73) ALDH1A1MAPK1L3MBTL1PAMTDP1
SCHEMBL10534818 0.86 ALDH1A1 (0.56) ALDH1A1MAPK1L3MBTL1PAMTDP1
SCHEMBL13291851 0.84 ALDH1A1 (0.68) ALDH1A1MAPK1L3MBTL1PAMTDP1
SCHEMBL4570308 0.84 ALDH1A1 (0.68) ALDH1A1MAPK1L3MBTL1PAMTDP1
SCHEMBL305415 0.84 ALDH1A1 (0.68) ALDH1A1MAPK1L3MBTL1PAMTDP1
SCHEMBL8566030 0.82 ALDH1A1 (0.66) ALDH1A1MAPK1L3MBTL1PAMTDP1
SCHEMBL14337318 0.82 ALDH1A1 (0.66) ALDH1A1MAPK1L3MBTL1PAMTDP1
SCHEMBL4911689 0.82 ALDH1A1 (0.66) ALDH1A1MAPK1L3MBTL1PAMTDP1
SCHEMBL245747 0.82 ALDH1A1 (0.66) ALDH1A1MAPK1L3MBTL1PAMTDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2217564-A1 COMPLEX PANTOIC ACID ESTER NEOPENTYL SULFONYL ESTER CYCLIZATION RELEASE PRODRUGS OF ACAMPROSATE, COMPOSITIONS THEREOF, AND METHODS OF USE XenoPort, Inc. (US) 2010-08-18 EP disclosed
US-20090076147-A1 COMPLEX PANTOIC ACID ESTER NEOPENTYL SULFONYL ESTER CYCLIZATION RELEASE PRODRUGS OF ACAMPROSATE, COMPOSITIONS THEREOF, AND METHODS OF USE XENOPORT, INC. 2009-03-19 US disclosed
WO-2009033054-A1 COMPLEX PANTOIC ACID ESTER NEOPENTYL SULFONYL ESTER CYCLIZATION RELEASE PRODRUGS OF ACAMPROSATE, COMPOSITIONS THEREOF, AND METHODS OF USE XENOPORT, INC. (US) 2009-03-12 WO disclosed
EP-0236074-B1 2BETA-SUBSTITUTED THIOMETHYLPENICILLIN DERIVATIVES AND THEIR PREPARATION AND USE TAIHO PHARMACEUTICAL COMPANY LIMITED (JP) 1992-01-08 EP disclosed
EP-0138523-B1 PENICILLIN DERIVATIVES AND PROCESS FOR PREPARING THE SAME (11111) TAIHO PHARMACEUTICAL COMPANY LIMITED (JP) 1987-08-19 EP disclosed
US-4668514-A Penicillin derivatives TAIHO PHARMACEUTICAL COMPANY LIMITED (JP) 1987-05-26 US disclosed
US-4562073-A BETA-LACTAMASE INHIBITORS TAIHO PHARMACEUTICAL COMPANY LIMITED (JP) 1985-12-31 US disclosed
US-4529592-A Substituted in position 2 with a (4,5-diester-1,2,3-triazol-3-yl)alkyl group TAIHO PHARMACEUTICAL COMPANY, LIMITED (JP) 1985-07-16 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-20090076147-A1 COMPLEX PANTOIC ACID ESTER NEOPENTYL SULFONYL ESTER CYCLIZATION RELEASE PRODRUGS OF ACAMPROSATE, COMPOSITIONS THEREOF, AND METHODS OF USE ADSL, SLC19A1, SLC25A21 ALDH1A1 1514/4885MAPK1 4819/4885L3MBTL1 4678/4885

“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.