SCHEMBL13073709

SCHEMBL13073709

CNC(=O)COCCOCCOCCNC(=O)COCCOCCNC(=O)CCS

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ GLP1R P43220 8/20 0.36
▸ CA1 P00915 5/20 0.35
▸ CA2 P00918 5/20 0.35
▸ CA9 Q16790 5/20 0.35
▸ CA12 O43570 4/20 0.35
▸ CA4 P22748 4/20 0.35
▸ CA14 Q9ULX7 4/20 0.35
▸ TSHR P16473 2/20 0.34
▸ HDAC3 O15379 1/20 0.32
▸ HDAC4 P56524 1/20 0.32
▸ HDAC1 Q13547 1/20 0.32
▸ HDAC7 Q8WUI4 1/20 0.32
▸ HDAC2 Q92769 1/20 0.32
▸ HDAC10 Q969S8 1/20 0.32
▸ HDAC11 Q96DB2 1/20 0.32
▸ HDAC8 Q9BY41 1/20 0.32
▸ HDAC6 Q9UBN7 1/20 0.32
▸ HDAC9 Q9UKV0 1/20 0.32

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
SCHEMBL26354614 0.89 MEN1 (0.41) MEN1KMT2AGLP1RCA1CA2
SCHEMBL26591160 0.85 MEN1 (0.41) MEN1KMT2AGLP1RCA1CA2
SCHEMBL12532525 0.84 MEN1 (0.35) MEN1KMT2AGLP1RCA1CA2
SCHEMBL6918577 0.83 MEN1 (0.42) MEN1KMT2AGLP1RCA1CA2
SCHEMBL6918510 0.83 MEN1 (0.42) MEN1KMT2AGLP1RCA1CA2
SCHEMBL6919152 0.83 MEN1 (0.42) MEN1KMT2AGLP1RCA1CA2
SCHEMBL23838529 0.82 MEN1 (0.44) MEN1KMT2AGLP1RTSHRSMN1; SMN2
SCHEMBL22297332 0.82 TSHR (0.41) MEN1KMT2ATSHRSMN1; SMN2
SCHEMBL21025904 0.82 TSHR (0.41) MEN1KMT2ATSHRSMN1; SMN2
SCHEMBL21172304 0.82 ALDH1A1 (0.41) MEN1KMT2AGLP1RTSHRSMN1; 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8759295-B2 Peptide-peptidase inhibitor conjugates and methods of using same AMYLIN PHARMACEUTICALS, LLC (US) 2014-06-24 — — US disclosed
US-20100292172-A1 Peptide-Peptidase Inhibitor Conjugates and Methods of Using Same AMYLIN PHARMACEUTICALS, INC. (US) 2010-11-18 — — 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-20100292172-A1 Peptide-Peptidase Inhibitor Conjugates and Methods of Using Same DNPEP, PEPD, VIP MEN1 998/4885KMT2A 2386/4885GLP1R 78/4885

“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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