SCHEMBL2157637

SCHEMBL2157637

Cc1ccccc1S(=O)(=O)Nc1csc(-c2cccc(O)c2)c1

nearest known ligand 0.58

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HSD17B2 P37059 12/20 0.58
HSD17B1 P14061 10/20 0.58
CYP3A4 P08684 2/20 0.49
CYP2D6 P10635 1/20 0.49
CYP2C19 P33261 1/20 0.49
ALDH1A1 P00352 2/20 0.45
KDM4E B2RXH2 1/20 0.45
LMNA P02545 1/20 0.45
HTT P42858 1/20 0.45
CYP2C9 P11712 1/20 0.44
TP53 P04637 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
PTPN2 P17706 1/20 0.42
PTPN1 P18031 1/20 0.42
PTPN5 P54829 1/20 0.42
IDH1 O75874 1/20 0.41

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
SCHEMBL2157668 0.90 HSD17B2 (0.49) HSD17B2HSD17B1CYP3A4ALDH1A1KDM4E
SCHEMBL2157975 0.86 HSD17B1 (0.45) HSD17B2HSD17B1ALDH1A1TP53TDP1
SCHEMBL2157826 0.86 KDM1A (0.48) HSD17B2HSD17B1ALDH1A1TP53TDP1
SCHEMBL2158472 0.86 HSD17B1 (0.45) HSD17B2HSD17B1ALDH1A1TP53TDP1
SCHEMBL2157562 0.84 HSD17B1 (0.52) HSD17B2HSD17B1CYP3A4CYP2C19ALDH1A1
SCHEMBL12464422 0.84 ALDH1A1 (0.54) HSD17B2HSD17B1ALDH1A1TP53TDP1
SCHEMBL2158979 0.84 LMNA (0.47) HSD17B2HSD17B1ALDH1A1LMNAHTT
SCHEMBL2158359 0.83 MAPT (0.45) HSD17B2HSD17B1ALDH1A1HTTTP53
SCHEMBL2157979 0.83 KDM1A (0.59) ALDH1A1TP53TDP1IDH1
SCHEMBL2157786 0.83 KDM1A (0.45) HSD17B2HSD17B1CYP3A4CYP2D6CYP2C19

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 HSD17B2 1131/4885HSD17B1 740/4885CYP3A4 622/4885

“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.