SCHEMBL2158362

SCHEMBL2158362

O=S(=O)(Nc1csc(-c2ccccc2)c1)c1ccccc1OC(F)(F)F

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALPL P05186 4/20 0.54
SLC22A12 Q96S37 4/20 0.53
HSD17B1 P14061 3/20 0.50
HSD17B2 P37059 3/20 0.50
SLC40A1 Q9NP59 1/20 0.50
PRF1 P14222 1/20 0.44
GSK3B P49841 1/20 0.43
BRD4 O60885 1/20 0.42
GSPT1 P15170 1/20 0.42
DDB1 Q16531 1/20 0.42
CRBN Q96SW2 1/20 0.42
FABP4 P15090 1/20 0.41
FABP5 Q01469 1/20 0.41
ACLY P53396 1/20 0.41
IDH1 O75874 1/20 0.40

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
SCHEMBL2158043 0.81 SLC22A12 (0.55) SLC22A12HSD17B1HSD17B2
SCHEMBL2157999 0.79 PTK2B (0.47) ALPLBRD4ACLY
SCHEMBL2158492 0.77 USP2 (0.49) PRF1BRD4FABP4FABP5
SCHEMBL2157872 0.75 ALPL (0.55) ALPLACLY
SCHEMBL2246911 0.75 IKBKB (0.52) HSD17B1HSD17B2SLC40A1ACLY
SCHEMBL2158433 0.75 RXFP1 (0.48) ALPLBRD4FABP4FABP5
SCHEMBL7570846 0.75 SLC22A12 (0.62) ALPLSLC22A12HSD17B1HSD17B2SLC40A1
SCHEMBL2158054 0.74 ALDH1A1 (0.52) IDH1
SCHEMBL2158687 0.74 CNR1 (0.42) BRD4ACLY
SCHEMBL2158080 0.74 CNR1 (0.42) SLC22A12HSD17B1HSD17B2FABP4FABP5

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-7985769-B2 Compounds and methods for the treatment or prevention of Flavivirus infections VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-07-26 US disclosed
US-20060142347-A1 Compounds and methods for the treatment or prevention of Flavivirus infections VERTEX PHARMACEUTICALS (CANADA) INCORPORATED (CA) 2006-06-29 US disclosed
US-6881741-B2 Compounds and methods for the treatment or prevention of Flavivirus infections VIROCHEM PHARMA INC. (CA) 2005-04-19 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-20060142347-A1 Compounds and methods for the treatment or prevention of Flavivirus infections HAVCR2, ZC3HAV1, MAVS ALPL 4636/4885SLC22A12 2078/4885HSD17B1 740/4885

“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.