SCHEMBL21813941

SCHEMBL21813941

COC(=O)c1csc2c(C(F)(F)F)c(Cl)c(O)nc12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 3/20 0.41
▸ SOS1 Q07889 1/20 0.34
▸ NOTUM Q6P988 2/20 0.34
▸ EIF4EBP1 Q13541 2/20 0.33
▸ NQO2 P16083 2/20 0.33
▸ ALDH1A1 P00352 1/20 0.32
▸ POLB P06746 1/20 0.32
▸ PDK2 Q15119 2/20 0.32
▸ PDK1 Q15118 1/20 0.32
▸ PDK3 Q15120 1/20 0.32
▸ PDK4 Q16654 1/20 0.32
▸ CFTR P13569 2/20 0.32
▸ GAA P10253 1/20 0.32
▸ MAPT P10636 1/20 0.32
▸ FFAR2 O15552 1/20 0.32
▸ CHEK1 O14757 1/20 0.31
▸ MET P08581 1/20 0.31
▸ GSK3B P49841 1/20 0.31
▸ LIMK1 P53667 1/20 0.31
▸ DYRK1A Q13627 1/20 0.31

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
SCHEMBL21814039 0.89 KDM4E (0.41) KDM4ESOS1NOTUMEIF4EBP1NQO2
SCHEMBL21813867 0.82 KDM4E (0.41) KDM4ESOS1NOTUMEIF4EBP1ALDH1A1
SCHEMBL21813966 0.76 KDM4E (0.52) KDM4EEIF4EBP1CFTRMAPTUGT8
SCHEMBL21813883 0.76 NOTUM (0.33) NOTUM
SCHEMBL21813648 0.73 UGT8 (0.43) NOTUMUGT8
SCHEMBL30845432 0.73 UGT8 (0.43) NOTUMUGT8
SCHEMBL21813838 0.70 KDM4E (0.43) KDM4ENQO2ALDH1A1POLBGAA
SCHEMBL22866767 0.70 KDM4E (0.40) KDM4EALDH1A1PDK2PDK4GAA
SCHEMBL29560681 0.70 KDM4E (0.43) KDM4ENQO2ALDH1A1POLBGAA
SCHEMBL29560113 0.70 KDM4E (0.40) KDM4EALDH1A1PDK2PDK4GAA

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-20200102324-A1 UDP GLYCOSYLTRANSFERASE INHIBITORS AND METHODS OF USE GENZYME CORPORATION 2020-04-02 — — 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-20200102324-A1 UDP GLYCOSYLTRANSFERASE INHIBITORS AND METHODS OF USE MAN2B1, GAA, GBA1 KDM4E 647/4885SOS1 4584/4885NOTUM 782/4885

“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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