SCHEMBL2158043

SCHEMBL2158043

O=S(=O)(Nc1csc(-c2ccccc2)c1)c1ccccc1C(F)(F)F

nearest known ligand 0.55

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SLC22A12 Q96S37 16/20 0.55
CYP2C9 P11712 2/20 0.52
SLC22A6 Q4U2R8 2/20 0.52
SLC22A8 Q8TCC7 2/20 0.52
SLC22A11 Q9NSA0 2/20 0.52
CYP3A4 P08684 1/20 0.52
PTPN2 P17706 1/20 0.52
PTPN1 P18031 1/20 0.52
PTPN5 P54829 1/20 0.52
HSD17B1 P14061 2/20 0.48
HSD17B2 P37059 2/20 0.48
KDM1A O60341 1/20 0.48

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
SCHEMBL2158362 0.81 ALPL (0.54) SLC22A12HSD17B1HSD17B2
SCHEMBL2158422 0.80 ERAP1 (0.55) PTPN2PTPN1PTPN5KDM1A
SCHEMBL3769130 0.79 SLC22A12 (0.70) SLC22A12CYP2C9SLC22A6SLC22A8SLC22A11
SCHEMBL2157783 0.79 KMT2A (0.63) PTPN2PTPN1PTPN5HSD17B2KDM1A
SCHEMBL2157999 0.77 PTK2B (0.47)
SCHEMBL2158492 0.77 USP2 (0.49)
SCHEMBL2158080 0.77 CNR1 (0.42) SLC22A12HSD17B1HSD17B2
SCHEMBL2158687 0.77 CNR1 (0.42) PTPN2PTPN1PTPN5KDM1A
SCHEMBL2157975 0.77 HSD17B1 (0.45) SLC22A12PTPN2PTPN1PTPN5HSD17B1
SCHEMBL2157528 0.75 PFKFB3 (0.52) SLC22A12

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 SLC22A12 2078/4885CYP2C9 1258/4885SLC22A6 2087/4885

“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.