SCHEMBL13613759

SCHEMBL13613759

C=CCOC(=O)[C@H](Cc1ccc(OC(=O)OCc2ccccc2Br)cc1)NC(=O)OC(C)(C)C

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ PLG P00747 5/20 0.45
▸ CTSS P25774 6/20 0.45
▸ CTSK P43235 5/20 0.45
▸ PTPN1 P18031 3/20 0.42
▸ HDAC8 Q9BY41 1/20 0.42
▸ TACR1 P25103 1/20 0.41
▸ ABCB1 P08183 1/20 0.41
▸ BCL2 P10415 1/20 0.41
▸ CTSL P07711 1/20 0.40
▸ CTSB P07858 1/20 0.40
▸ ALDH1A1 P00352 1/20 0.40
▸ ITGB3 P05106 1/20 0.39
▸ ITGA2B P08514 1/20 0.39

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
SCHEMBL11652135 0.87 PTPN1 (0.54) PLGCTSSCTSKPTPN1HDAC8
SCHEMBL9646827 0.87 PTPN1 (0.54) PLGCTSSCTSKPTPN1HDAC8
SCHEMBL7057456 0.87 PTPN1 (0.54) PLGCTSSCTSKPTPN1HDAC8
SCHEMBL29397682 0.87 PTPN1 (0.54) PLGCTSSCTSKPTPN1HDAC8
SCHEMBL29400153 0.87 PTPN1 (0.54) PLGCTSSCTSKPTPN1HDAC8
SCHEMBL29787421 0.87 PLG (0.50) PLGCTSSCTSKPTPN1HDAC8
SCHEMBL10941372 0.83 PLG (0.56) PLGCTSSCTSKPTPN1HDAC8
SCHEMBL10941364 0.83 PLG (0.56) PLGCTSSCTSKPTPN1HDAC8
SCHEMBL14933160 0.82 SMN1; SMN2 (0.46) CTSSCTSKHDAC8TACR1ABCB1
SCHEMBL16124354 0.82 SMN1; SMN2 (0.46) CTSSCTSKHDAC8TACR1ABCB1

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-20090275727-A1 Peptide turn mimetics MIMETICA PTY LIMITED (AU) 2009-11-05 — — US disclosed
US-20090275727-A1 Peptide turn mimetics MIMETICA PTY LIMITED (AU) 2009-11-05 — — 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 (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-20090275727-A1 Peptide turn mimetics IAPP, GLP1R, VIP PLG 905/4885CTSS 1601/4885CTSK 1231/4885

“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.

Send feedback