SCHEMBL3122875

SCHEMBL3122875

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nearest known ligand 0.41

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 2/20 0.41
CYP2C19 P33261 2/20 0.41
LDHA P00338 1/20 0.35
SRR Q9GZT4 1/20 0.35
EGLN1 Q9GZT9 2/20 0.32
APEX1 P27695 1/20 0.31
CYP1A2 P05177 1/20 0.30
CYP2C9 P11712 1/20 0.30
TSHR P16473 1/20 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
SCHEMBL17821044 0.82
SCHEMBL1696901 0.82
SCHEMBL115120 0.79
SCHEMBL23354398 0.78 HDAC3 (0.43) CYP2D6CYP2C19EGLN1TSHR
SCHEMBL27608656 0.76 EGLN1 (0.46) CYP2D6CYP2C19LDHASRREGLN1
SCHEMBL6362593 0.76
Ammonia Solution, Strong SCHEMBL3170528 0.76
SCHEMBL23354778 0.76 MAPT (0.32) CYP2D6CYP2C19TSHR
SCHEMBL12475088 0.75 MEN1 (0.47) TSHR
SCHEMBL759405 0.74

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
WO-2016196393-A2 AUTOPHAGY-INHIBITING COMPOUNDS AND USES THEREOF PRESAGE BIOSCIENCES, INC. (US) 2016-12-08 WO disclosed
EP-1663245-B1 CEPHEM COMPOUNDS ASTELLAS PHARMA INC (JP) 2010-04-07 EP disclosed
US-20090012054-A1 Cephem Compounds and Use as Antimicrobial Agents ASTELLAS PHARMA INC. (JP) 2009-01-08 US disclosed
US-7192943-B2 Cephem compounds ASTELLAS PHARMA INC. (JP) 2007-03-20 US disclosed
US-20050096306-A1 Cephem compounds FUJISAWA PHARMACEUTICAL CO. LTD. (JP) 2005-05-05 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-20050096306-A1 Cephem compounds CEP170, ASS1, C1S CYP2D6 384/4885CYP2C19 85/4885LDHA 2764/4885
US-20090012054-A1 Cephem Compounds and Use as Antimicrobial Agents CEP170, Q6ZSR9, H1-10 CYP2D6 1125/4885CYP2C19 623/4885LDHA 3411/4885

“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.