SCHEMBL13296561

SCHEMBL13296561

C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(=O)OC(C)(C)C)NC[C@H](CCCCNC(=O)OC(C)(C)C)NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)C(=O)O

nearest known ligand 0.51

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ PTPN1 P18031 8/20 0.43
▸ KMT2A Q03164 1/20 0.41
▸ TLR2 O60603 1/20 0.40
▸ TLR1 Q15399 1/20 0.40
▸ PAX8 Q06710 1/20 0.39
▸ TDP1 Q9NUW8 1/20 0.39
▸ MDM2 Q00987 1/20 0.38
▸ GRB2 P62993 1/20 0.38

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
SCHEMBL16870092 0.83 MDM2 (0.48) PTPN1KMT2ATLR2TLR1PAX8
SCHEMBL30193482 0.83 MDM2 (0.48) PTPN1KMT2ATLR2TLR1PAX8
SCHEMBL23922657 0.83 MDM2 (0.48) PTPN1KMT2ATLR2TLR1PAX8
SCHEMBL30193352 0.83 MDM2 (0.48) PTPN1KMT2ATLR2TLR1PAX8
SCHEMBL16862553 0.82 MDM2 (0.48) KMT2ATLR2TLR1PAX8TDP1
SCHEMBL16862552 0.82 MDM2 (0.48) KMT2ATLR2TLR1PAX8TDP1
SCHEMBL30193389 0.82 MDM2 (0.52) PTPN1KMT2ATLR2TLR1PAX8
SCHEMBL30193403 0.82 MDM2 (0.52) PTPN1KMT2ATLR2TLR1PAX8
SCHEMBL18421240 0.82 MDM2 (0.52) PTPN1KMT2ATLR2TLR1PAX8
SCHEMBL16870156 0.82 MDM2 (0.52) PTPN1KMT2ATLR2TLR1PAX8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7737293-B2 Amide forming chemical ligation REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2010-06-15 — — US disclosed
US-7667076-B2 Amide forming chemical ligation REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2010-02-23 — — US disclosed
US-20090069536-A1 Amide Forming Chemical Ligation THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2009-03-12 — — US disclosed
US-20070060773-A1 Amide forming chemical ligation THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2007-03-15 — — 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-20090069536-A1 Amide Forming Chemical Ligation CPS1, GLUL, PCCA PTPN1 4540/4885KMT2A 151/4885TLR2 4580/4885
US-20070060773-A1 Amide forming chemical ligation CPS1, GLUL, PCCA PTPN1 4540/4885KMT2A 151/4885TLR2 4580/4885

“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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