SCHEMBL2158359

SCHEMBL2158359

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

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.45
KDM1A O60341 1/20 0.45
MAOA P21397 1/20 0.45
HTT P42858 2/20 0.44
HPGD P15428 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
ALDH1A1 P00352 1/20 0.44
TP53 P04637 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
PTPN2 P17706 3/20 0.43
PTPN1 P18031 3/20 0.43
PTPN5 P54829 3/20 0.43
TSHR P16473 1/20 0.43
HSD17B1 P14061 1/20 0.42
HSD17B2 P37059 1/20 0.42
HSPD1 P10809 1/20 0.42
HSPE1 P61604 1/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
SLC22A12 Q96S37 2/20 0.42

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
SCHEMBL2157975 0.90 HSD17B1 (0.45) MAPTKDM1AMAOAALDH1A1TP53
SCHEMBL2157815 0.90 ALDH1A1 (0.44) MAPTKDM1AMAOAHTTHPGD
SCHEMBL2157735 0.88 SLC22A12 (0.46) KDM1AMAOAALDH1A1TP53TDP1
SCHEMBL2157668 0.88 HSD17B2 (0.49) KDM1AMAOAHTTALDH1A1TP53
SCHEMBL2157979 0.88 KDM1A (0.59) KDM1AMAOAALDH1A1TP53TDP1
SCHEMBL2157786 0.88 KDM1A (0.45) MAPTKDM1AMAOAALDH1A1TP53
SCHEMBL2158433 0.86 RXFP1 (0.48) MAPTHTTALDH1A1MEN1KMT2A
SCHEMBL12464422 0.86 ALDH1A1 (0.54) MAPTKDM1AMAOAALDH1A1TP53
SCHEMBL2158575 0.85 LMNA (0.50) MAPTKDM1AMAOAHTTHPGD
SCHEMBL2157859 0.85 TP53 (0.44) MAPTKDM1AMAOAALDH1A1TP53

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 MAPT 1458/4885KDM1A 2573/4885MAOA 1048/4885

“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.