SCHEMBL2906457

SCHEMBL2906457

CC[CH]OC(=O)Cc1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.53
ALDH1A1 P00352 3/20 0.52
L3MBTL1 Q9Y468 2/20 0.52
MAPK1 P28482 1/20 0.52
PAM P19021 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.49
CES2 O00748 1/20 0.47
CES1 P23141 1/20 0.47
AKR1B1 P15121 1/20 0.47
KMT2A Q03164 2/20 0.44
KDM4E B2RXH2 1/20 0.42
LMNA P02545 1/20 0.42
MEN1 O00255 1/20 0.41
HDAC8 Q9BY41 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
CYP19A1 P11511 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2C9 P11712 1/20 0.41

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
SCHEMBL4207974 0.86 TSHR (0.50) TSHRALDH1A1L3MBTL1MAPK1PAM
SCHEMBL705231 0.81 TSHR (0.56) TSHRALDH1A1L3MBTL1MAPK1PAM
SCHEMBL21693912 0.80 MEN1 (0.49) TSHRALDH1A1L3MBTL1MAPK1KMT2A
SCHEMBL559684 0.79 ALDH1A1 (0.57) TSHRALDH1A1L3MBTL1MAPK1PAM
SCHEMBL28725510 0.78 TSHR (0.53) TSHRALDH1A1L3MBTL1MAPK1PAM
SCHEMBL28238138 0.78 TSHR (0.53) TSHRALDH1A1L3MBTL1MAPK1PAM
Methyl Alcohol SCHEMBL4364856 0.78 TSHR (0.53) TSHRALDH1A1L3MBTL1MAPK1PAM
SCHEMBL9387870 0.77 ALDH1A1 (0.55) TSHRALDH1A1L3MBTL1MAPK1PAM
SCHEMBL163579 0.77 ALDH1A1 (0.55) TSHRALDH1A1L3MBTL1MAPK1PAM
SCHEMBL2903366 0.76 TSHR (0.61) TSHRALDH1A1L3MBTL1MAPK1PAM

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 TSHR 2112/4885ALDH1A1 1514/4885L3MBTL1 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.