SCHEMBL2158771

SCHEMBL2158771

COCC(=O)N(Cc1ccccc1)c1csc(-c2ccccc2)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 7/20 0.46
MEN1 O00255 6/20 0.46
NPSR1 Q6W5P4 1/20 0.46
HTT P42858 3/20 0.44
ALDH1A1 P00352 3/20 0.44
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
PAX8 Q06710 2/20 0.44
JAK2 O60674 1/20 0.44
PTGDR2 Q9Y5Y4 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.43
GLA P06280 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
MAPT P10636 1/20 0.42
RNF4 P78317 1/20 0.42
LTB4R2 Q9NPC1 2/20 0.41
HSD17B2 P37059 2/20 0.41
TSPO P30536 1/20 0.40
PTGES O14684 1/20 0.40
ALOX5 P09917 1/20 0.40

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
SCHEMBL12464386 0.87 PTGDR2 (0.54) KMT2AMEN1NPSR1HTTALDH1A1
SCHEMBL2158746 0.84 LTB4R2 (0.52) KMT2AMEN1NPSR1HTTALDH1A1
SCHEMBL6629369 0.82 ALDH1A1 (0.39) KMT2AMEN1ALDH1A1PTGDR2LTB4R2
SCHEMBL2157522 0.82 PTGDR2 (0.56) PTGDR2RNF4HSD17B2TSPOPTGES
SCHEMBL2158851 0.81 LTB4R2 (0.48) KMT2AMEN1HTTALDH1A1NPC1
SCHEMBL2157867 0.80 PTGDR2 (0.52) PTGDR2LTB4R2HSD17B2TSPOPTGES
SCHEMBL2158429 0.80 LTB4R2 (0.47) KMT2AHTTALDH1A1NPC1RAB9A
SCHEMBL2158287 0.79 PTGDR2 (0.46) KMT2AHTTALDH1A1NPC1RAB9A
SCHEMBL2157762 0.79 LTB4R2 (0.48) KMT2AMEN1NPSR1HTTALDH1A1
SCHEMBL2157848 0.78 RAB9A (0.48) KMT2AMEN1HTTALDH1A1NPC1

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 KMT2A 3270/4885MEN1 3052/4885NPSR1 2975/4885

“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.