SCHEMBL2157979

SCHEMBL2157979

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

nearest known ligand 0.59

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 2/20 0.59
MAOA P21397 2/20 0.59
SLC22A12 Q96S37 2/20 0.47
CNR1 P21554 1/20 0.47
IDH1 O75874 10/20 0.46
PTGDR2 Q9Y5Y4 1/20 0.45
ALDH1A1 P00352 1/20 0.44
TP53 P04637 1/20 0.44
TDP1 Q9NUW8 1/20 0.44

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
SCHEMBL2157826 0.90 KDM1A (0.48) KDM1AMAOASLC22A12CNR1IDH1
SCHEMBL2157434 0.88 SLC22A12 (0.51) KDM1AMAOASLC22A12ALDH1A1TP53
SCHEMBL2157668 0.88 HSD17B2 (0.49) KDM1AMAOASLC22A12ALDH1A1TP53
SCHEMBL2157786 0.88 KDM1A (0.45) KDM1AMAOASLC22A12ALDH1A1TP53
SCHEMBL2158359 0.88 MAPT (0.45) KDM1AMAOASLC22A12IDH1ALDH1A1
SCHEMBL2157624 0.86 CNR1 (0.49) KDM1AMAOACNR1IDH1
SCHEMBL12464422 0.86 ALDH1A1 (0.54) KDM1AMAOASLC22A12ALDH1A1TP53
SCHEMBL2157859 0.85 TP53 (0.44) KDM1AMAOAIDH1ALDH1A1TP53
SCHEMBL2158575 0.85 LMNA (0.50) KDM1AMAOAALDH1A1TP53
SCHEMBL2157735 0.85 SLC22A12 (0.46) KDM1AMAOASLC22A12IDH1ALDH1A1

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 KDM1A 2573/4885MAOA 1048/4885SLC22A12 2078/4885

“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.