SCHEMBL14048966

SCHEMBL14048966

CCC(=O)N(Cc1ccncc1)c1cc(-c2ccccc2)sc1C(=O)O

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 1/20 0.43
LTB4R2 Q9NPC1 2/20 0.41
KDM4E B2RXH2 1/20 0.40
MEN1 O00255 1/20 0.40
NPC1 O15118 1/20 0.40
ALDH1A1 P00352 1/20 0.40
MAPT P10636 1/20 0.40
HPGD P15428 1/20 0.40
RAB9A P51151 1/20 0.40
KMT2A Q03164 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
HSD17B10 Q99714 1/20 0.40
CDC7 O00311 2/20 0.40
DBF4 Q9UBU7 2/20 0.40
IKBKB O14920 1/20 0.39
FNTA P49354 1/20 0.39
FNTB P49356 1/20 0.39

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
SCHEMBL3812595 0.92 PTGDR2 (0.47) PTGDR2LTB4R2KDM4EMEN1NPC1
SCHEMBL14048863 0.88 LMNA (0.46) MAPT
SCHEMBL2245988 0.88 LTB4R2 (0.44) PTGDR2LTB4R2KDM4EMEN1NPC1
SCHEMBL2252385 0.87 LTB4R2 (0.43) PTGDR2LTB4R2KDM4EMEN1NPC1
SCHEMBL3807189 0.86 PTGDR2 (0.50) PTGDR2LTB4R2MEN1KMT2A
SCHEMBL2250658 0.85 PTGES (0.47) PTGDR2LTB4R2KDM4EMEN1NPC1
SCHEMBL3814752 0.83 PTPRC (0.43) PTGDR2KDM4EMEN1NPC1ALDH1A1
SCHEMBL14049042 0.83 ALDH1A1 (0.40) KDM4EMEN1NPC1ALDH1A1MAPT
SCHEMBL2248703 0.83 MEN1 (0.47) LTB4R2MEN1MAPTRAB9AKMT2A
SCHEMBL2878988 0.83 CPB1 (0.43) KDM4EMAPTSMN1; SMN2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080269481-A1 Compounds and methods for the treatment or prevention of Flavivirus infections VIROCHEM PHARMA INC. (CA) 2008-10-30 US disclosed
US-7402608-B2 Compounds and methods for the treatment or prevention of Flavivirus infections VIROCHEM PHARMA INC. (CA) 2008-07-22 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-20080269481-A1 Compounds and methods for the treatment or prevention of Flavivirus infections ZC3HAV1, ZYX, ZFX PTGDR2 4817/4885LTB4R2 4117/4885KDM4E 1505/4885

“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.