SCHEMBL21813423

SCHEMBL21813423

COC(=O)c1c(C)sc2c(C(F)(F)F)cc(Cl)nc12

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ NGFR P08138 2/20 0.38
▸ NOTUM Q6P988 4/20 0.38
▸ NPC1 O15118 1/20 0.35
▸ PKM P14618 1/20 0.35
▸ RBP4 P02753 2/20 0.34
▸ MRGPRX4 Q96LA9 1/20 0.34
▸ MAPT P10636 1/20 0.34
▸ DHODH Q02127 1/20 0.34
▸ MCL1 Q07820 1/20 0.34
▸ KDM4E B2RXH2 2/20 0.33
▸ CNR2 P34972 1/20 0.33
▸ CFTR P13569 1/20 0.33
▸ HCRTR1 O43613 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ RXFP1 Q9HBX9 1/20 0.33

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
SCHEMBL21813864 0.85 CFTR (0.37) PKMDHODHKDM4ECFTRALDH1A1
SCHEMBL30845399 0.85 CFTR (0.37) PKMDHODHKDM4ECFTRALDH1A1
SCHEMBL21813966 0.76 KDM4E (0.52) MAPTKDM4ECFTR
SCHEMBL831077 0.76 NOTUM (0.41) NOTUMRBP4MRGPRX4MAPTKDM4E
SCHEMBL21813977 0.72 NGFR (0.54) NGFRNOTUMNPC1PKMMAPT
SCHEMBL31459158 0.72 CFTR (0.41) NOTUMRBP4MRGPRX4MAPTKDM4E
SCHEMBL27274223 0.72 CFTR (0.41) NOTUMRBP4MRGPRX4MAPTKDM4E
SCHEMBL2130395 0.68 MAPT (0.42) NOTUMMRGPRX4MAPTKDM4ECFTR
SCHEMBL1327502 0.67 GABRP (0.40) NOTUMNPC1PKMMAPTKDM4E
SCHEMBL30845442 0.66 UGT8 (0.58) —

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113423711-B Thieno [3,2-B ] pyridine derivatives as UDP glycosyltransferase inhibitors and methods of use thereof 建新公司 2024-03-15 — — CN disclosed
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
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 NGFR 3365/4885NOTUM 782/4885NPC1 95/4885

“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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