SCHEMBL21813980

SCHEMBL21813980

COC(=O)c1csc2c(C(F)(F)F)cc(N3CCN(CC(=O)NCc4ccccc4)CC3)nc12

nearest known ligand 0.65

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 1/20 0.65
▸ UGT8 Q16880 14/20 0.59
▸ POLB P06746 1/20 0.49
▸ GFER P55789 1/20 0.47
▸ ALDH1A1 P00352 1/20 0.45
▸ MDM2 Q00987 1/20 0.45
▸ DRD2 P14416 1/20 0.45
▸ DRD3 P35462 1/20 0.45

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
SCHEMBL21813439 0.89 KDM4E (0.77) KDM4EUGT8POLBALDH1A1
SCHEMBL21813541 0.88 UGT8 (0.67) KDM4EUGT8
SCHEMBL21813682 0.87 KDM4E (0.65) KDM4EUGT8
SCHEMBL21814009 0.86 UGT8 (0.71) KDM4EUGT8
SCHEMBL21813479 0.86 KDM4E (0.68) KDM4EUGT8
SCHEMBL21813726 0.84 UGT8 (0.82) KDM4EUGT8
SCHEMBL21813862 0.81 UGT8 (0.65) KDM4EUGT8
SCHEMBL21813878 0.81 UGT8 (0.62) KDM4EUGT8
SCHEMBL21814071 0.81 UGT8 (0.64) KDM4EUGT8
SCHEMBL21813544 0.78 UGT8 (0.72) KDM4EUGT8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3861000-A1 THIENO[3,2-B]PYRIDINE DERIVATIVES AS UDP GLYCOSYLTRANSFERASE INHIBITORS AND METHODS OF USE Genzyme Corporation (US) 2021-08-11 — — EP disclosed
WO-2020072504-A1 THIENO[3,2-B]PYRIDINE DERIVATIVES AS UDP GLYCOSYLTRANSFERASE INHIBITORS AND METHODS OF USE GENZYME CORPORATION (US) 2020-04-09 — — WO disclosed
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 647/4885UGT8 74/4885POLB 367/4885

“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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