SCHEMBL11928872

SCHEMBL11928872

COCC(=O)NCCOCCNC(=O)COCC(C)=O

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 3/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ SPR P35270 1/20 0.38
▸ HPGD P15428 5/20 0.37
▸ CYP1A2 P05177 2/20 0.37
▸ CYP2C19 P33261 2/20 0.37
▸ CYP2C9 P11712 1/20 0.37
▸ CES2 O00748 1/20 0.35
▸ ALDH1A1 P00352 3/20 0.35
▸ TDP1 Q9NUW8 1/20 0.35
▸ FAAH O00519 1/20 0.34
▸ KDM4E B2RXH2 1/20 0.34
▸ GLA P06280 1/20 0.34
▸ L3MBTL1 Q9Y468 1/20 0.34
▸ LMNA P02545 1/20 0.34
▸ RECQL P46063 1/20 0.33

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
SCHEMBL19243956 0.95 MEN1 (0.41) TSHRMEN1KMT2ASPRHPGD
SCHEMBL13226788 0.93 MEN1 (0.42) TSHRMEN1KMT2ASPRHPGD
SCHEMBL23173479 0.93 MEN1 (0.42) TSHRMEN1KMT2ASPRHPGD
SCHEMBL13531884 0.89 HPGD (0.45) TSHRHPGDCYP1A2CYP2C19CYP2C9
SCHEMBL8536337 0.89 TSHR (0.45) TSHRMEN1KMT2ASPRHPGD
SCHEMBL12734797 0.88 TSHR (0.41) TSHRMEN1KMT2AHPGDCYP1A2
SCHEMBL29330747 0.88 TSHR (0.41) TSHRMEN1KMT2AHPGDCYP1A2
SCHEMBL8537552 0.87 MEN1 (0.48) TSHRMEN1KMT2ASPRHPGD
SCHEMBL8537710 0.87 MEN1 (0.48) TSHRMEN1KMT2ASPRHPGD
SCHEMBL253658 0.86 CES2 (0.43) TSHRMEN1KMT2ACES2ALDH1A1

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-8241606-B2 Synthesis of a radiofluorinated peptide using photolabile protecting groups GE HEALTHCARE AS (NO) 2012-08-14 — — US disclosed
US-20100022746-A1 SYNTHESIS OF A RADIOFLUORINATED PEPTIDE USING PHOTOLABILE PROTECTING GROUPS GE HEALTHCARE AS (NO) 2010-01-28 — — 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-20100022746-A1 SYNTHESIS OF A RADIOFLUORINATED PEPTIDE USING PHOTOLABILE PROTECTING GROUPS QRFPR, DNPEP, VIP TSHR 264/4885MEN1 192/4885KMT2A 2596/4885

“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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