SCHEMBL2158635

SCHEMBL2158635

CC(=O)c1ccc(-c2cc(NS(=O)(=O)c3ccc(C)cc3)cs2)cc1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.65
HPGD P15428 2/20 0.65
ALDH1A1 P00352 5/20 0.58
MEN1 O00255 3/20 0.58
KMT2A Q03164 3/20 0.58
LMNA P02545 3/20 0.58
ALOX12 P18054 1/20 0.58
FFAR4 Q5NUL3 1/20 0.53
CA12 O43570 1/20 0.52
CA9 Q16790 1/20 0.52
NPSR1 Q6W5P4 3/20 0.50
KDM4E B2RXH2 2/20 0.50
SMN1; SMN2 Q16637 2/20 0.49
RXFP1 Q9HBX9 1/20 0.49
TCF4 P15884 1/20 0.48
CTNNB1 P35222 1/20 0.48
HDAC3 O15379 1/20 0.47
HDAC4 P56524 1/20 0.47
HDAC1 Q13547 1/20 0.47
HDAC7 Q8WUI4 1/20 0.47

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
SCHEMBL2157533 0.89 MAPT (0.50) MAPTHPGDALDH1A1MEN1KMT2A
SCHEMBL2158587 0.84 NPSR1 (0.57) MAPTHPGDALDH1A1MEN1KMT2A
SCHEMBL2158766 0.81 LMNA (0.49) MAPTHPGDALDH1A1LMNACA12
SCHEMBL2157849 0.81 HSD11B1 (0.52) KMT2ATP53
SCHEMBL3767094 0.80 MAPT (1.00) MAPTHPGDALDH1A1MEN1KMT2A
SCHEMBL12338982 0.80 MAPT (1.00) MAPTHPGDALDH1A1MEN1KMT2A
SCHEMBL2157818 0.75 NPSR1 (0.73) MAPTHPGDFFAR4NPSR1KDM4E
SCHEMBL6959526 0.75 TCF4 (0.75) MAPTHPGDALDH1A1MEN1KMT2A
SCHEMBL2157622 0.74 ALDH1A1 (0.55) MAPTHPGDALDH1A1MEN1KMT2A
SCHEMBL3817249 0.74 NPSR1 (0.61) MAPTHPGDALDH1A1MEN1KMT2A

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 1458/4885HPGD 2916/4885ALDH1A1 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.