SCHEMBL2907648

SCHEMBL2907648

COC(=O)O[CH]c1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.44
HSD17B10 Q99714 2/20 0.43
TSHR P16473 1/20 0.43
NAPRT Q6XQN6 1/20 0.43
ALDH1A1 P00352 2/20 0.43
KDM4E B2RXH2 2/20 0.43
HPGD P15428 2/20 0.43
MMP1 P03956 4/20 0.42
MMP2 P08253 4/20 0.42
MMP9 P14780 4/20 0.42
EGFR P00533 3/20 0.42
HTT P42858 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
GLA P06280 2/20 0.41
AKR1C3 P42330 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
RAB9A P51151 3/20 0.41
MAPT P10636 2/20 0.41
NPC1 O15118 2/20 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
SCHEMBL2908043 0.82 TSHR (0.44) TSHRALDH1A1HPGDHTTCA1
SCHEMBL7542602 0.80 ALDH1A1 (0.49) KMT2AHSD17B10ALDH1A1KDM4EMMP1
SCHEMBL2900868 0.79 MEN1 (0.56) KMT2ATSHRALDH1A1KDM4EHPGD
SCHEMBL87638 0.78 TDP1 (0.48) KMT2AHSD17B10TSHRNAPRTALDH1A1
SCHEMBL2907535 0.78 ALDH1A1 (0.50) KMT2AHSD17B10TSHRALDH1A1KDM4E
SCHEMBL2906271 0.78 RAD51 (0.46) KMT2AHSD17B10ALDH1A1KDM4EHPGD
SCHEMBL4200464 0.78 ELANE (0.43) KMT2ATSHRALDH1A1HTTGLA
SCHEMBL2906456 0.76 LMNA (0.51) KMT2ATSHRALDH1A1HPGDTDP1
Styrene SCHEMBL27852504 0.75 ALDH1A1 (0.58) KMT2AHSD17B10TSHRALDH1A1KDM4E
SCHEMBL27834761 0.74 MAPT (0.43) HSD17B10TSHRALDH1A1KDM4EHPGD

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 3 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

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 KMT2A 4109/4885HSD17B10 1218/4885TSHR 2112/4885

“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.