SCHEMBL4851598

SCHEMBL4851598

COC(=O)COc1ccc(NCC(=O)OC(C)(C)C)cc1Cl

nearest known ligand 0.58

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 2/20 0.51
▸ CYP2C19 P33261 1/20 0.46
▸ GAA P10253 3/20 0.46
▸ TSHR P16473 2/20 0.46
▸ HTT P42858 1/20 0.46
▸ SMN1; SMN2 Q16637 1/20 0.46
▸ GLA P06280 1/20 0.44
▸ TDP1 Q9NUW8 2/20 0.44
▸ ALDH1A1 P00352 3/20 0.43
▸ MAPT P10636 2/20 0.43
▸ MEN1 O00255 2/20 0.43
▸ KMT2A Q03164 2/20 0.43
▸ RORC P51449 1/20 0.43
▸ KDM4E B2RXH2 1/20 0.41
▸ HPGD P15428 1/20 0.41
▸ MAPK1 P28482 1/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ PTGDR Q13258 1/20 0.40
▸ PTGDR2 Q9Y5Y4 1/20 0.40

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
SCHEMBL4860643 0.90 RORC (0.46) CYP2C19GAATSHRTDP1ALDH1A1
SCHEMBL1549431 0.86 HTT (0.47) LMNATSHRHTTALDH1A1KDM4E
SCHEMBL4852883 0.86 APP (0.45) LMNACYP2C19GAASMN1; SMN2ALDH1A1
SCHEMBL4853455 0.85 MTNR1A (0.40) LMNAHTTSMN1; SMN2ALDH1A1MAPT
SCHEMBL4856533 0.85 ITGB1 (0.40) LMNAHTTSMN1; SMN2ALDH1A1MAPT
SCHEMBL4859373 0.85 FFAR1 (0.46) ALDH1A1MAPT
SCHEMBL4859367 0.83 PSEN1 (0.42) LMNACYP2C19HTTSMN1; SMN2ALDH1A1
SCHEMBL7437136 0.79 PSEN1 (0.48) CYP2C19SMN1; SMN2ALDH1A1MAPTMEN1
SCHEMBL4860695 0.79 LMNA (0.62) LMNAGAATSHRHTTSMN1; SMN2
SCHEMBL4860553 0.78 ALDH1A1 (0.53) LMNACYP2C19GAATSHRSMN1; SMN2

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
US-7345067-B2 Aniline derivatives, their manufacture and use as pharmaceutical agents HOFFMANN-LA ROCHE INC. (US) 2008-03-18 — — US disclosed
EP-1636198-A1 ANILINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2006-03-22 — — EP disclosed
WO-2004111020-A1 ANILINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2004-12-23 — — WO disclosed
US-20040248951-A1 Aniline derivatives, their manufacture and use as pharmaceuticals F. HOFFMANN-LA ROCHE AG, A SWISS COMPANY (CH) 2004-12-09 — — 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-20040248951-A1 Aniline derivatives, their manufacture and use as pharmaceuticals PPARA, PPARD, PPARG LMNA 1382/4885CYP2C19 105/4885GAA 2594/4885

“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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