SCHEMBL2907462

SCHEMBL2907462

CC(C)[CH]OC(=O)CC(C)C

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 1/20 0.42
MMP2 P08253 1/20 0.42
MMP3 P08254 1/20 0.42
MMP9 P14780 1/20 0.42
MMP13 P45452 1/20 0.42
ALDH1A1 P00352 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
CA2 P00918 1/20 0.37
MIF P14174 1/20 0.36
PRKCA P17252 1/20 0.34
ALOX15 P16050 1/20 0.33
TSHR P16473 1/20 0.31
CYP2C19 P33261 1/20 0.30

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
SCHEMBL446469 0.78
SCHEMBL128517 0.78
SCHEMBL1486190 0.78
SCHEMBL207282 0.76
SCHEMBL448017 0.74 MMP1 (0.41) MMP1MMP2MMP3MMP9MMP13
SCHEMBL129808 0.74 ALDH1A1 (0.48) ALDH1A1ALOX15TSHR
SCHEMBL4200939 0.71 MMP1 (0.38) MMP1MMP2MMP3MMP9MMP13
SCHEMBL248143 0.71 ALDH1A1 (0.50) MMP1MMP2MMP3MMP9MMP13
SCHEMBL5424411 0.71 ALDH1A1 (0.50) MMP1MMP2MMP3MMP9MMP13
SCHEMBL21488619 0.70 SOAT1 (0.33) TSHR

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 5 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-20090131407-A1 TETRACYCLIC KINASE INHIBITORS GENENTECH, INC. 2009-05-21 US 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
US-4616008-A LIPID-SOLUBLE CEPHALOSPORINS AND CYCLODEXTRINS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1986-10-07 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 (2 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 MMP1 3530/4885MMP2 2658/4885MMP3 2183/4885
US-20090131407-A1 TETRACYCLIC KINASE INHIBITORS CNKSR1, MAP3K19, BRAF MMP1 3047/4885MMP2 2954/4885MMP3 2931/4885

“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.