SCHEMBL14049044

SCHEMBL14049044

CCC(=O)N(CC1OCCO1)c1cc(-c2ccccc2)sc1C(=O)OC

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 4/20 0.48
▸ HTT P42858 2/20 0.48
▸ ATM Q13315 1/20 0.48
▸ MAPT P10636 9/20 0.45
▸ ALDH1A1 P00352 6/20 0.45
▸ LMNA P02545 3/20 0.45
▸ HPGD P15428 6/20 0.43
▸ MEN1 O00255 3/20 0.42
▸ KMT2A Q03164 3/20 0.42
▸ NPC1 O15118 1/20 0.42
▸ RAB9A P51151 1/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.42
▸ HSD17B10 Q99714 1/20 0.42
▸ PLA2G1B P04054 1/20 0.40
▸ ATG4B Q9Y4P1 1/20 0.40
▸ GAA P10253 1/20 0.40
▸ TP53 P04637 2/20 0.39
▸ POLB P06746 1/20 0.39
▸ IKBKB O14920 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
SCHEMBL14049041 0.89 KDM4E (0.40) KDM4EHTTATMMAPTALDH1A1
SCHEMBL2878699 0.85 KDM4E (0.49) KDM4EHTTATMMAPTALDH1A1
SCHEMBL14136979 0.82 KDM4E (0.48) KDM4EHTTATMMAPTALDH1A1
SCHEMBL14048986 0.78 KDM4E (0.41) KDM4EMAPTALDH1A1LMNAHPGD
SCHEMBL14136980 0.77 SMN1; SMN2 (0.44) KDM4EHTTATMMEN1KMT2A
SCHEMBL13355786 0.75 KDM4E (0.46) KDM4EHTTATMMAPTALDH1A1
SCHEMBL13093776 0.75 KDM4E (0.46) KDM4EHTTATMMAPTALDH1A1
SCHEMBL14049039 0.75 KDM4E (0.50) KDM4EHTTATMMAPTALDH1A1
SCHEMBL2876780 0.75 CYP2E1 (0.43) KDM4EHTTATMMAPTLMNA
SCHEMBL2879066 0.74 KDM4E (0.60) KDM4EHTTATMMAPTALDH1A1

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 KDM4E 1505/4885HTT 2862/4885ATM 4049/4885

“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.

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