SCHEMBL14048986

SCHEMBL14048986

CC(=O)N(CC1OCCO1)c1cc(-c2ccccc2)sc1C(=O)O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 4/20 0.41
▸ MAPT P10636 4/20 0.41
▸ LMNA P02545 2/20 0.41
▸ PKM P14618 1/20 0.41
▸ RXFP1 Q9HBX9 1/20 0.41
▸ PTPRF P10586 1/20 0.39
▸ PTPN1 P18031 1/20 0.39
▸ ALDH1A1 P00352 4/20 0.37
▸ MEN1 O00255 3/20 0.37
▸ KMT2A Q03164 3/20 0.37
▸ HPGD P15428 2/20 0.37
▸ GAA P10253 1/20 0.37
▸ NPC1 O15118 1/20 0.37
▸ RAB9A P51151 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ HSD17B10 Q99714 1/20 0.37
▸ IKBKB O14920 1/20 0.36
▸ CYP1A2 P05177 1/20 0.36
▸ CYP3A4 P08684 1/20 0.36
▸ CYP2C9 P11712 1/20 0.36

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) KDM4EMAPTLMNAPKMRXFP1
SCHEMBL2876780 0.84 CYP2E1 (0.43) KDM4EMAPTLMNAPKMRXFP1
SCHEMBL2878555 0.80 CYP3A4 (0.38) SMN1; SMN2IKBKBCYP1A2CYP3A4CYP2C9
SCHEMBL3807987 0.79 TSPO (0.48) KDM4EMAPTLMNAPKMRXFP1
SCHEMBL14049044 0.78 KDM4E (0.48) KDM4EMAPTLMNAALDH1A1MEN1
SCHEMBL3809716 0.75 KDM4E (0.42) KDM4EMAPTLMNAPKMRXFP1
SCHEMBL2878699 0.75 KDM4E (0.49) KDM4EMAPTLMNAALDH1A1MEN1
SCHEMBL12396251 0.74 MAPT (0.41) KDM4EMAPTLMNAPKMRXFP1
SCHEMBL2456970 0.74 MAPT (0.42) KDM4EMAPTLMNAPKMRXFP1
SCHEMBL3812648 0.74 TSPO (0.46) KDM4EMAPTLMNAPKMRXFP1

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 1 patent. 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

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 1505/4885MAPT 1641/4885LMNA 1242/4885

“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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