SCHEMBL2158472

SCHEMBL2158472

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

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HSD17B1 P14061 2/20 0.45
HSD17B2 P37059 2/20 0.45
ALDH1A1 P00352 1/20 0.42
TP53 P04637 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
PTPN2 P17706 3/20 0.42
PTPN1 P18031 3/20 0.42
PTPN5 P54829 3/20 0.42
MAPT P10636 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
KDM1A O60341 1/20 0.41
MAOA P21397 1/20 0.41
SLC22A12 Q96S37 2/20 0.40
HTR6 P50406 1/20 0.40
POLB P06746 1/20 0.40
SLC40A1 Q9NP59 1/20 0.39
HSPD1 P10809 1/20 0.38
HSPE1 P61604 1/20 0.38

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
SCHEMBL2157786 0.90 KDM1A (0.45) HSD17B1HSD17B2ALDH1A1TP53TDP1
SCHEMBL2157637 0.86 HSD17B2 (0.58) HSD17B1HSD17B2ALDH1A1TP53TDP1
SCHEMBL2157975 0.86 HSD17B1 (0.45) HSD17B1HSD17B2ALDH1A1TP53TDP1
SCHEMBL2157826 0.86 KDM1A (0.48) HSD17B1HSD17B2ALDH1A1TP53TDP1
SCHEMBL12464422 0.84 ALDH1A1 (0.54) HSD17B1HSD17B2ALDH1A1TP53TDP1
SCHEMBL2158979 0.84 LMNA (0.47) HSD17B1HSD17B2ALDH1A1TP53MAPT
SCHEMBL2157979 0.83 KDM1A (0.59) ALDH1A1TP53TDP1KDM1AMAOA
SCHEMBL2158359 0.83 MAPT (0.45) HSD17B1HSD17B2ALDH1A1TP53TDP1
SCHEMBL2157668 0.83 HSD17B2 (0.49) HSD17B1HSD17B2ALDH1A1TP53TDP1
SCHEMBL2158517 0.83 SLC22A12 (0.48) HSD17B1HSD17B2ALDH1A1TP53TDP1

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 5 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
EP-1401825-A2 THIOPHENE DERIVATIVES AS ANTIVIRAL AGENTS FOR FLAVIVIRUS INFECTION Shire Biochem Inc. (CA) 2004-03-31 EP disclosed
WO-2002100851-A2 THIOPHENE DERIVATIVES AS ANTIVIRAL AGENTS FOR FLAVIVIRUS INFECTION SHIRE BIOCHEM INC. (CA) 2002-12-19 WO 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 HSD17B1 740/4885HSD17B2 1131/4885ALDH1A1 684/4885

“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.