SCHEMBL1576841

SCHEMBL1576841

C1CCOCC1.O=C(O)Cc1cc2ccccc2[nH]1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
SSTR3 P32745 1/20 0.46
AKR1B1 P15121 1/20 0.46
NLRP3 Q96P20 1/20 0.45
LOXL2 Q9Y4K0 1/20 0.44
MTNR1A P48039 1/20 0.44
MTNR1B P49286 1/20 0.44
IDO1 P14902 1/20 0.43
KDM4E B2RXH2 2/20 0.43
HSD17B10 Q99714 2/20 0.43
MAPT P10636 1/20 0.43
DAO P14920 1/20 0.43
HPGD P15428 1/20 0.43
SRD5A2 P31213 1/20 0.43
HRH3 Q9Y5N1 1/20 0.43
ALDH1A1 P00352 1/20 0.42
HDAC3 O15379 2/20 0.41
HDAC1 Q13547 2/20 0.41
HDAC2 Q92769 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
SCHEMBL49270 0.87 LOXL2 (0.56) SMN1; SMN2AKR1B1NLRP3LOXL2MTNR1A
SCHEMBL29365671 0.87 LOXL2 (0.56) SMN1; SMN2AKR1B1NLRP3LOXL2MTNR1A
SCHEMBL31336079 0.87 LOXL2 (0.56) SMN1; SMN2AKR1B1NLRP3LOXL2MTNR1A
SCHEMBL31511816 0.85 LOXL2 (0.55) SMN1; SMN2AKR1B1NLRP3LOXL2MTNR1A
Water SCHEMBL30025993 0.85 LOXL2 (0.55) SMN1; SMN2AKR1B1NLRP3LOXL2MTNR1A
Indole SCHEMBL3662699 0.80 TRPA1 (0.50) SSTR3AKR1B1NLRP3LOXL2MTNR1A
SCHEMBL29396052 0.80 AKR1B1 (0.49) SMN1; SMN2AKR1B1NLRP3LOXL2MTNR1A
SCHEMBL27697662 0.77 NLRP3 (0.50) SMN1; SMN2AKR1B1NLRP3LOXL2MTNR1A
Indole SCHEMBL29627418 0.77 MTNR1A (0.49) SSTR3AKR1B1NLRP3LOXL2MTNR1A
SCHEMBL6350170 0.76 AKR1B1 (0.42) SSTR3AKR1B1NLRP3LOXL2MTNR1A

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-2307434-B1 COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS FOR THE TREATMENT OF VIRAL INFECTIONS IDENIX PHARMACEUTICALS INC (US) 2014-02-12 EP disclosed
EP-2476690-A1 Compounds and pharmaceutical compositions for the treatment of viral infections IDENIX Pharmaceuticals, Inc. (US) 2012-07-18 EP disclosed
EP-2307434-A1 COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS FOR THE TREATMENT OF VIRAL INFECTIONS IDENIX Pharmaceuticals, Inc. (US) 2011-04-13 EP disclosed
WO-2010014134-A1 COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS FOR THE TREATMENT OF VIRAL INFECTIONS IDENIX PHARAMACEUTICALS, INC. (US) 2010-02-04 WO disclosed
US-20100003217-A1 Compounds and Pharmaceutical Compositions for the Treatment of Viral Infections CRETTON-SCOTT ERIKA 2010-01-07 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 (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-20100003217-A1 Compounds and Pharmaceutical Compositions for the Treatment of Viral Infections HAVCR2, PYGL, GOT1 POLB 272/4885SMN1; SMN2 2196/4885SSTR3 4764/4885

“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.