SCHEMBL6923612

SCHEMBL6923612

CCOP(=O)(OCC)c1cc2cc(S(N)(=O)=O)c(C(F)(F)F)cc2[nH]c1=O

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CA1 P00915 3/20 0.36
CA2 P00918 3/20 0.36
CA12 O43570 2/20 0.36
CA4 P22748 2/20 0.36
CA5A P35218 2/20 0.36
CA7 P43166 2/20 0.36
CA9 Q16790 2/20 0.36
CA5B Q9Y2D0 2/20 0.36
CA6 P23280 1/20 0.36
CA14 Q9ULX7 1/20 0.36
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
LMNA P02545 1/20 0.32
CYP2C9 P11712 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
CACNA1H O95180 1/20 0.31
POLB P06746 1/20 0.31

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
SCHEMBL6928804 0.89 TRPV4 (0.31)
SCHEMBL7648893 0.87 TAS2R14 (0.31)
SCHEMBL6929437 0.85 POLB (0.33) CA1CA2CA12CA4CA5A
SCHEMBL7648880 0.85 CNR2 (0.32) KDM4EALDH1A1POLB
SCHEMBL7647679 0.85 KDM4E (0.33) KDM4EALDH1A1
SCHEMBL6928527 0.84 PARP1 (0.40) CACNA1H
SCHEMBL7648078 0.84 KDM4E (0.36) KDM4EALDH1A1POLB
SCHEMBL6926873 0.83 USP2 (0.38) CA1CA2CA12CA4CA5A
SCHEMBL6927437 0.82 CA1 (0.41) CA1CA2CA12CA4CA5A
SCHEMBL7198556 0.80 CA12 (0.33) CA1CA2CA12CA4CA5A

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
US-6596709-B1 For treatment of Alzheimer's disease, schizophrenia, amyotrophic lateral sclerosis, and Huntington's chorea LES LABORATOIRES SERVIER (FR) 2003-07-22 US disclosed
US-6518258-B1 6-sulphamoyl -3-quinolyphosphonic acid compounds LES LABORATOIRES SERVIER (FR) 2003-02-11 US disclosed
CN-1317490-A Novel-6-sulfamine-3-quinolyl phosphonate compounds, its prepn. process and medical compsn. contg. them ADIR (FR) 2001-10-17 CN disclosed