SCHEMBL3366244

SCHEMBL3366244

O=C(O)c1cccc(S(=O)(=O)NF)c1

nearest known ligand 0.66

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.66
CA2 P00918 1/20 0.66
CYP2C19 P33261 1/20 0.62
F2 P00734 3/20 0.60
PRSS1 P07477 3/20 0.60
PRSS2 P07478 3/20 0.60
PRSS3 P35030 3/20 0.60
MEP1B Q16820 2/20 0.59
AKR1C3 P42330 4/20 0.57
KDM4E B2RXH2 1/20 0.57
TSHR P16473 1/20 0.57
PTK2B Q14289 1/20 0.57
KMT2A Q03164 2/20 0.56
USP2 O75604 1/20 0.55
POLB P06746 1/20 0.55
PFKFB3 Q16875 1/20 0.54
MEN1 O00255 1/20 0.52

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
SCHEMBL22916896 0.84 CA1 (0.68) CA1CA2CYP2C19F2PRSS1
SCHEMBL3245644 0.84 CA1 (0.68) CA1CA2CYP2C19F2PRSS1
SCHEMBL30147625 0.82 CA1 (0.66) CA1CA2CYP2C19F2PRSS1
SCHEMBL35539 0.82 CA1 (0.66) CA1CA2CYP2C19F2PRSS1
SCHEMBL2835612 0.82 CA1 (0.71) CA1CA2CYP2C19F2PRSS1
SCHEMBL25517678 0.82 CA1 (0.66) CA1CA2CYP2C19F2PRSS1
SCHEMBL30901134 0.79 F2 (0.57) CA1CA2CYP2C19F2PRSS1
SCHEMBL1436244 0.79 F2 (0.57) CA1CA2CYP2C19F2PRSS1
SCHEMBL30702318 0.79 PFKFB3 (0.76) CA1CA2AKR1C3KDM4ETSHR
SCHEMBL30702319 0.79 PFKFB3 (0.76) CA1CA2AKR1C3KDM4ETSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100009970-A1 COMPOSITIONS AND METHODS FOR TREATMENT OF VIRAL DISEASES COMBINATORX (SINGAPORE) PTE. LTD. (SG) 2010-01-14 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-20100009970-A1 COMPOSITIONS AND METHODS FOR TREATMENT OF VIRAL DISEASES HTR1A, HTR3B, HTR3A CA1 4868/4885CA2 4884/4885CYP2C19 958/4885

“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.