SCHEMBL2158979

SCHEMBL2158979

COc1cccc(-c2cc(NS(=O)(=O)c3ccccc3C)cs2)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 5/20 0.47
HPGD P15428 2/20 0.47
PLAU P00749 2/20 0.45
SMN1; SMN2 Q16637 3/20 0.45
ALDH1A1 P00352 2/20 0.45
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
TSHR P16473 1/20 0.44
HTT P42858 1/20 0.44
HSD17B1 P14061 2/20 0.44
HSD17B2 P37059 2/20 0.44
PTGES2 Q9H7Z7 1/20 0.44
BRD4 O60885 1/20 0.44
BRD2 P25440 1/20 0.44
BRD3 Q15059 1/20 0.44
IDH1 O75874 1/20 0.43
ALPL P05186 1/20 0.42
ALOX12 P18054 1/20 0.42
TP53 P04637 1/20 0.42
MAPT P10636 1/20 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
SCHEMBL2158575 0.91 LMNA (0.50) LMNAHPGDSMN1; SMN2ALDH1A1MEN1
SCHEMBL2157975 0.84 HSD17B1 (0.45) ALDH1A1MEN1KMT2AHSD17B1HSD17B2
SCHEMBL2157637 0.84 HSD17B2 (0.58) LMNAALDH1A1HTTHSD17B1HSD17B2
SCHEMBL2158472 0.84 HSD17B1 (0.45) ALDH1A1MEN1KMT2AHSD17B1HSD17B2
SCHEMBL2157826 0.84 KDM1A (0.48) ALDH1A1MEN1KMT2AHSD17B1HSD17B2
SCHEMBL12464422 0.82 ALDH1A1 (0.54) ALDH1A1MEN1KMT2AHSD17B1HSD17B2
SCHEMBL2157668 0.81 HSD17B2 (0.49) LMNASMN1; SMN2ALDH1A1TSHRHTT
SCHEMBL2157979 0.81 KDM1A (0.59) ALDH1A1IDH1TP53
SCHEMBL2158359 0.81 MAPT (0.45) HPGDALDH1A1MEN1KMT2ATSHR
SCHEMBL2157786 0.81 KDM1A (0.45) LMNAALDH1A1MEN1KMT2AHSD17B1

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 LMNA 2343/4885HPGD 2916/4885PLAU 2360/4885

“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.