SCHEMBL5483979

SCHEMBL5483979

COC(=O)c1ccsc1-c1ccc(SC(=O)N(C)C)cc1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 1/20 0.41
KMT2A Q03164 4/20 0.39
MEN1 O00255 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
KDM4E B2RXH2 3/20 0.37
ALDH1A1 P00352 3/20 0.37
NPC1 O15118 3/20 0.36
TDP1 Q9NUW8 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
POLB P06746 2/20 0.36
ATM Q13315 1/20 0.36
RAB9A P51151 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
HPGD P15428 1/20 0.34
HSD17B10 Q99714 1/20 0.34

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
SCHEMBL17010936 0.81 PTGS1 (0.53) PTGS1KMT2AMEN1SMN1; SMN2KDM4E
SCHEMBL14564435 0.76 ALDH1A1 (0.49) PTGS1KMT2AMEN1SMN1; SMN2KDM4E
SCHEMBL5445652 0.76 PTGS1 (0.49) PTGS1KMT2AMEN1SMN1; SMN2KDM4E
SCHEMBL5445969 0.75 PTGS1 (0.48) PTGS1KMT2AMEN1SMN1; SMN2KDM4E
SCHEMBL5444681 0.75 PTGS1 (0.40) PTGS1KMT2AMEN1SMN1; SMN2KDM4E
SCHEMBL11312872 0.75 CA1 (0.50) KMT2AMEN1SMN1; SMN2KDM4EALDH1A1
SCHEMBL3321379 0.75 KDM4E (0.56) PTGS1KMT2AMEN1SMN1; SMN2KDM4E
SCHEMBL9081273 0.74 ALDH1A1 (0.52) KMT2ASMN1; SMN2KDM4EALDH1A1L3MBTL1
SCHEMBL20814566 0.74 ALDH1A1 (0.49) SMN1; SMN2KDM4EALDH1A1L3MBTL1RAB9A
SCHEMBL15775647 0.72 SLC6A3 (0.53) PTGS1KMT2AMEN1SMN1; SMN2KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070054902-A1 Isoxazole derivatives as peroxisome proliferator-activated receptors agonists SHIONOGI & CO., LTD. (JP) 2007-03-08 US disclosed
US-20070054902-A1 Isoxazole derivatives as peroxisome proliferator-activated receptors agonists SHIONOGI & CO., LTD. (JP) 2007-03-08 US disclosed
US-20070054902-A1 Isoxazole derivatives as peroxisome proliferator-activated receptors agonists SHIONOGI & CO., LTD. (JP) 2007-03-08 US disclosed
EP-1690538-A1 ISOXAZOLE DERIVATIVE HAVING AGONISTIC ACTIVITY AGAINST PEROXISOME PROLIFERATOR-ACTIVATED RECEPTOR SHIONOGI & CO., LTD. (JP) 2006-08-16 EP 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-20070054902-A1 Isoxazole derivatives as peroxisome proliferator-activated receptors agonists NR1H3, NR1H2, RXRA PTGS1 2416/4885KMT2A 3046/4885MEN1 4329/4885

“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.