SCHEMBL2158289

SCHEMBL2158289

Cc1ccccc1S(=O)(=O)Nc1csc(-c2ccc(C(=O)O)cc2)c1

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.48
HSD17B1 P14061 1/20 0.47
HSD17B2 P37059 1/20 0.47
MAPT P10636 1/20 0.46
ALKBH2 Q6NS38 1/20 0.46
ALKBH3 Q96Q83 1/20 0.46
ALDH1A1 P00352 1/20 0.46
PTGER4 P35408 1/20 0.45
IDH1 O75874 1/20 0.44
GAA P10253 1/20 0.44
DNMT3B Q9UBC3 1/20 0.44
PTK2B Q14289 1/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
CYP26A1 O43174 1/20 0.43

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
SCHEMBL2158766 0.91 LMNA (0.49) HSD17B1HSD17B2MAPTALDH1A1PTGER4
SCHEMBL2157923 0.90 ALDH1A1 (0.52) HSD17B1HSD17B2MAPTALDH1A1
SCHEMBL2157668 0.87 HSD17B2 (0.49) TSHRHSD17B1HSD17B2ALDH1A1GAA
SCHEMBL2157786 0.84 KDM1A (0.45) HSD17B1HSD17B2MAPTALDH1A1MEN1
SCHEMBL2158359 0.84 MAPT (0.45) TSHRHSD17B1HSD17B2MAPTALDH1A1
SCHEMBL2157979 0.84 KDM1A (0.59) ALDH1A1IDH1
SCHEMBL12464422 0.83 ALDH1A1 (0.54) HSD17B1HSD17B2MAPTALDH1A1MEN1
SCHEMBL2158575 0.82 LMNA (0.50) MAPTALDH1A1MEN1KMT2A
SCHEMBL2157637 0.82 HSD17B2 (0.58) HSD17B1HSD17B2ALDH1A1IDH1
SCHEMBL2157859 0.82 TP53 (0.44) HSD17B1HSD17B2MAPTALDH1A1IDH1

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 TSHR 4609/4885HSD17B1 740/4885HSD17B2 1131/4885

“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.