SCHEMBL21068978

SCHEMBL21068978

CCOC(=O)NC(=S)Nc1nc(O[C@@H](C)C(F)(F)F)ccc1C(C)(C)O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 2/20 0.39
▸ SMN1; SMN2 Q16637 2/20 0.34
▸ LMNA P02545 2/20 0.34
▸ KCNH2 Q12809 1/20 0.34
▸ AAK1 Q2M2I8 1/20 0.33
▸ HPGD P15428 3/20 0.31
▸ CYP1A2 P05177 1/20 0.31
▸ CYP3A4 P08684 1/20 0.31
▸ GAA P10253 1/20 0.31
▸ CYP2C9 P11712 1/20 0.31
▸ CYP2C19 P33261 1/20 0.31
▸ MEN1 O00255 2/20 0.31
▸ KMT2A Q03164 2/20 0.31
▸ RAB9A P51151 1/20 0.31
▸ NPSR1 Q6W5P4 1/20 0.31
▸ ALDH1A1 P00352 2/20 0.31
▸ PDE5A O76074 1/20 0.31
▸ KDM4E B2RXH2 1/20 0.30
▸ DHODH Q02127 1/20 0.30
▸ TSHR P16473 2/20 0.30

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
SCHEMBL21068979 1.00 MAPT (0.39) MAPTSMN1; SMN2LMNAKCNH2AAK1
SCHEMBL23628522 0.92 MAPT (0.39) MAPTSMN1; SMN2LMNAKCNH2AAK1
SCHEMBL21108585 0.92 MAPT (0.39) MAPTSMN1; SMN2LMNAKCNH2AAK1
SCHEMBL21108308 0.91 AAK1 (0.34) MAPTAAK1HPGDGAAMEN1
SCHEMBL21069092 0.84 MAPT (0.41) MAPTSMN1; SMN2LMNAKCNH2AAK1
SCHEMBL23639191 0.73 PIM1 (0.31) —
SCHEMBL21108337 0.71 MAPT (0.41) MAPTSMN1; SMN2LMNAGAAMEN1
SCHEMBL21068733 0.67 CYP3A4 (0.36) CYP3A4CYP2C9CYP2C19DHODH
SCHEMBL21068734 0.67 CYP3A4 (0.36) CYP3A4CYP2C9CYP2C19DHODH
SCHEMBL29637052 0.67 CYP3A4 (0.36) CYP3A4CYP2C9CYP2C19DHODH

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3475279-B1 TRIAZOLOPYRIDINES AS GAMMA-SECRETASE MODULATORS HOFFMANN LA ROCHE (CH) 2021-07-14 — — EP disclosed
EP-3475279-B1 TRIAZOLOPYRIDINES AS GAMMA-SECRETASE MODULATORS HOFFMANN LA ROCHE (CH) 2021-07-14 — — EP disclosed
US-10875854-B2 Triazolopyridines HOFFMANN-LA ROCHE INC. (US) 2020-12-29 — — US disclosed
US-20190194183-A1 TRIAZOLOPYRIDINES HOFFMANN-LA ROCHE INC. (US) 2019-06-27 — — 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 (2 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-20190194183-A1 TRIAZOLOPYRIDINES HTR2A, APP, PTGDR MAPT 185/4885SMN1; SMN2 3088/4885LMNA 1737/4885
US-10875854-B2 Triazolopyridines HTR2A, APP, PTGDR MAPT 185/4885SMN1; SMN2 3088/4885LMNA 1737/4885

“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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