SCHEMBL20325604

SCHEMBL20325604

CCOC(=O)C(F)(F)c1ccc(Oc2ccc(Cl)cc2)cc1

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ HTR2A P28223 2/20 0.56
▸ TSHR P16473 2/20 0.56
▸ PPARA Q07869 2/20 0.56
▸ ABCB11 O95342 1/20 0.56
▸ CYP1A2 P05177 1/20 0.56
▸ CYP3A4 P08684 1/20 0.56
▸ PMP22 Q01453 1/20 0.56
▸ OPRK1 P41145 1/20 0.48
▸ PTGDR2 Q9Y5Y4 1/20 0.45
▸ SMN1; SMN2 Q16637 1/20 0.42
▸ SLC6A4 P31645 1/20 0.42
▸ KCNH2 Q12809 1/20 0.42
▸ ALDH1A1 P00352 3/20 0.41
▸ MMP1 P03956 1/20 0.40
▸ MAPT P10636 1/20 0.39
▸ PPARG P37231 1/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.39

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
SCHEMBL8258321 0.92 TSHR (0.55) HTR2ATSHRPPARAABCB11CYP1A2
SCHEMBL20326029 0.88 MMP13 (0.45) HTR2ATSHRPPARAABCB11CYP1A2
SCHEMBL21501175 0.87 NPC1 (0.52) SMN1; SMN2ALDH1A1MAPT
SCHEMBL13199136 0.84 TSHR (0.49) HTR2ATSHRPPARAABCB11CYP1A2
SCHEMBL23067420 0.82 TSHR (0.49) HTR2ATSHRPPARAABCB11CYP1A2
SCHEMBL23067505 0.82 TSHR (0.49) HTR2ATSHRPPARAABCB11CYP1A2
SCHEMBL12004031 0.81 CYP1A1 (0.48) CYP1A2SMN1; SMN2ALDH1A1MAPTL3MBTL1
SCHEMBL20325777 0.81 ALDH1A1 (0.56) HTR2ATSHRPPARAABCB11CYP1A2
SCHEMBL16595353 0.81 TSHR (0.48) HTR2ATSHRPPARAABCB11CYP1A2
SCHEMBL17583195 0.79 NPSR1 (0.51) TSHRCYP1A2ALDH1A1MAPTPPARG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190322676-A1 CERAMIDE GALACTOSYLTRANSFERASE INHIBITORS FOR THE TREATMENT OF DISEASE BIOMARIN PHARM INC (US) 2019-10-24 — — US disclosed
WO-2018118838-A1 CERAMIDE GALACTOSYLTRANSFERASE INHIBITORS FOR THE TREATMENT OF DISEASE BIOMARIN PHARMACEUTICAL INC. (US) 2018-06-28 — — WO 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-20190322676-A1 CERAMIDE GALACTOSYLTRANSFERASE INHIBITORS FOR THE TREATMENT OF DISEASE UGCG, MAN2B1, GBA1 HTR2A 4246/4885TSHR 4258/4885PPARA 1697/4885

“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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