SCHEMBL6812341

SCHEMBL6812341

CCCCCCCCCCCCCCCCCCCCCCOCC(C)(COCCCCCCCCCCCCCCCCCCCCCC)COS(C)(=O)=O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 10/20 0.43
CA2 P00918 10/20 0.43
CA9 Q16790 8/20 0.43
CA12 O43570 3/20 0.43
CA7 P43166 3/20 0.43
CA14 Q9ULX7 3/20 0.43
CA3 P07451 2/20 0.43
CA4 P22748 2/20 0.43
CA6 P23280 2/20 0.43
CA5A P35218 2/20 0.43
CA5B Q9Y2D0 2/20 0.43
CES1 P23141 1/20 0.42
TSHR P16473 2/20 0.42
KDM4E B2RXH2 1/20 0.42
USP2 O75604 1/20 0.42
ALDH1A1 P00352 1/20 0.42
LMNA P02545 1/20 0.42
MMP9 P14780 1/20 0.42
ALOX15 P16050 1/20 0.42
RECQL P46063 2/20 0.42

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
SCHEMBL6812402 1.00 CA1 (0.43) CA1CA2CA9CA12CA7
SCHEMBL16592979 0.79 TSHR (0.40) CA1CA2CA9CA12CA7
SCHEMBL17334638 0.77 TSHR (0.65) CA1CA2CA9CA12CA7
SCHEMBL20128970 0.77 TSHR (0.65) CA1CA2CA9CA12CA7
SCHEMBL15923362 0.77 TSHR (0.65) CA1CA2CA9CA12CA7
SCHEMBL20145734 0.77 TSHR (0.65) CA1CA2CA9CA12CA7
SCHEMBL2057201 0.77 USP2 (0.46) TSHRKDM4EUSP2ALDH1A1LMNA
SCHEMBL9999947 0.76 TSHR (0.56) CA1CA2CA9CA12CA7
SCHEMBL15922913 0.76 TSHR (0.62) CA1CA2CA9CA12CA7
SCHEMBL20145782 0.76 TSHR (0.56) CA1CA2CA9CA12CA7

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6835720-B2 Sulfated drugs NISSIN FOOD PRODUCTS CO., LTD. (JP) 2004-12-28 US disclosed
EP-0957107-B1 NOVEL COMPOUNDS HAVING ANTIVIRAL ACTIVITY NISSIN FOOD PRODUCTS LTD (JP) 2004-07-21 EP disclosed
WO-2003049672-A2 METHODS AND COMPOSITIONS FOR TREATING FLAVIVIRUS-MEDIATED DISEASE MICROBIOTIX, INC. (US) 2003-06-19 WO disclosed
WO-2003041639-A2 METHODS AND COMPOSITIONS FOR TREATING ROTAVIRUS-MEDIATED DISEASE MICROBIOTIX, INC. (US) 2003-05-22 WO disclosed
US-20030073664-A1 Novel compounds having antiviral activity NISSIN FOOD PRODUCTS CO., LTD. (JP) 2003-04-17 US disclosed
US-6541461-B2 Treating viral infection; obtain mamal, administer vircide, monitor response to viricide NISSIN FOOD PRODUCTS CO., LTD. (JP) 2003-04-01 US disclosed
US-20020077472-A1 Novel compounds having antiviral activity NISSIN FOOD PRODUCTS CO., LTD. (JP) 2002-06-20 US disclosed
US-6337390-B1 MONOSACCHARIDE LIPID LINKED TO ANOMERIC CARBON OF SIALIC ACID OR KDN NISSAN FOOD PRODUCTS CO., LTD. (JP) 2002-01-08 US disclosed
EP-0957107-A1 NOVEL COMPOUNDS HAVING ANTIVIRAL ACTIVITY NISSIN FOOD PRODUCTS CO., LTD. (JP) 1999-11-17 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 (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-20020077472-A1 Novel compounds having antiviral activity ST6GAL1, SIGLEC7, NEU2 CA1 1970/4885CA2 3154/4885CA9 1356/4885
US-20030073664-A1 Novel compounds having antiviral activity ST6GAL1, SIGLEC7, NEU2 CA1 1970/4885CA2 3154/4885CA9 1356/4885

“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.