SCHEMBL3973973

SCHEMBL3973973

CNS(=O)(=O)c1cc(C(=O)O)ccc1OC

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.74
PKM P14618 2/20 0.68
MAPT P10636 2/20 0.67
GAA P10253 1/20 0.67
POLB P06746 2/20 0.64
L3MBTL1 Q9Y468 2/20 0.62
TDP1 Q9NUW8 1/20 0.61
CA12 O43570 1/20 0.57
CA1 P00915 1/20 0.57
CA2 P00918 1/20 0.57
CA4 P22748 1/20 0.57
CA6 P23280 1/20 0.57
CA7 P43166 1/20 0.57
TPMT P51580 1/20 0.57
CA9 Q16790 1/20 0.57
CA14 Q9ULX7 1/20 0.57
ACLY P53396 1/20 0.55
KDM4E B2RXH2 1/20 0.55
LMNA P02545 2/20 0.54
USP2 O75604 1/20 0.54

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
SCHEMBL12060828 0.86 L3MBTL1 (0.60) NPSR1PKMMAPTGAAPOLB
SCHEMBL13543515 0.85 NPSR1 (1.00) NPSR1PKMMAPTGAAPOLB
SCHEMBL26144954 0.85 NPSR1 (0.70) NPSR1PKMMAPTGAAPOLB
SCHEMBL13543513 0.84 MAPT (0.74) NPSR1PKMMAPTGAAPOLB
SCHEMBL2565798 0.82 PKM (0.73) NPSR1PKMMAPTGAAPOLB
SCHEMBL13543516 0.81 L3MBTL1 (0.67) NPSR1PKMMAPTGAAPOLB
SCHEMBL13543514 0.81 MAPT (0.79) NPSR1PKMMAPTGAAPOLB
SCHEMBL2592861 0.81 PKM (1.00) NPSR1PKMMAPTGAAPOLB
SCHEMBL135000 0.81 PKM (0.71) NPSR1PKMMAPTGAAPOLB
SCHEMBL7658881 0.80 MAPT (1.00) NPSR1PKMMAPTGAAPOLB

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
US-7645771-B2 CCR5 antagonists as therapeutic agents SMITHKLINE BEECHAM CORP. (US) 2010-01-12 US disclosed
US-7645771-B2 CCR5 antagonists as therapeutic agents SMITHKLINE BEECHAM CORP. (US) 2010-01-12 US disclosed
US-7514452-B2 2-furancarboxylic acid hydrazides and pharmaceutical compositions containing the same DAINIPPON PHARMACEUTICAL CO., LTD (JP) 2009-04-07 US disclosed
US-20050171196-A1 2-Furancarboxylic acid hydrazides and pharmaceutical compositions containing the same DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2005-08-04 US disclosed
EP-1489077-A1 2-FURANCARBOXYLIC ACID HYDRAZIDES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME DAINIPPON PHARMACEUTICAL CO., LTD. (JP) 2004-12-22 EP 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-20050171196-A1 2-Furancarboxylic acid hydrazides and pharmaceutical compositions containing the same GLP1R, GCGR, GPR119 NPSR1 169/4885PKM 1476/4885MAPT 4833/4885

“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.