SCHEMBL4082401

SCHEMBL4082401

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nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.42
TP53 P04637 1/20 0.42
TSHR P16473 1/20 0.42
KMT2A Q03164 2/20 0.40
PKM P14618 1/20 0.40
TERT O14746 1/20 0.39
REN P00797 2/20 0.39
CTSD P07339 1/20 0.38
BACE1 P56817 1/20 0.36
FPR1 P21462 1/20 0.36
MMP9 P14780 1/20 0.35
MMP8 P22894 1/20 0.35
LMNA P02545 2/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
PLG P00747 1/20 0.34
RECQL P46063 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2C9 P11712 1/20 0.34
CTSC P53634 1/20 0.34

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
SCHEMBL4087536 0.80 TERT (0.38) TERT
SCHEMBL4087537 0.80 TERT (0.38) TERT
SCHEMBL4086489 0.77 OPRD1 (0.46) CTSC
SCHEMBL4099835 0.77 TERT (0.40) TERT
SCHEMBL4092645 0.77 TERT (0.35) TERTPLG
SCHEMBL27788518 0.74 CTSC (0.57) CYP1A2CYP3A4CTSC
SCHEMBL4088898 0.73 OPRD1 (0.51) CTSC
SCHEMBL4086999 0.73 TERT (0.38) TERTCTSD
SCHEMBL4093741 0.72 CTSC (0.55) KMT2APKMLMNARECQLCYP1A2
SCHEMBL4088656 0.72 CYP3A4 (0.52) ALDH1A1CYP1A2CYP3A4CYP2C9

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-8076285-B2 Lysobactin amides AICURIS GMBH & CO. KG (DE) 2011-12-13 US disclosed
US-20090203582-A1 LYSOBACTIN AMIDES BAYER HEALTHCARE AG (DE) 2009-08-13 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-20090203582-A1 LYSOBACTIN AMIDES AADAT, HAMP, DLST ALDH1A1 3748/4885TP53 4431/4885TSHR 829/4885

“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.