SCHEMBL8539672

SCHEMBL8539672

C=CCOc1ccc(CC(NC(=O)OC(C)(C)C)C(=O)OC)cc1

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 1/20 0.53
ITGA2B P08514 1/20 0.53
KLK5 Q9Y337 1/20 0.50
HDAC8 Q9BY41 1/20 0.49
MEN1 O00255 1/20 0.47
ALDH1A1 P00352 1/20 0.47
LMNA P02545 1/20 0.47
KMT2A Q03164 1/20 0.47
BCL2 P10415 1/20 0.47
PTPN1 P18031 2/20 0.46
CTSS P25774 6/20 0.46
CTSK P43235 5/20 0.46
YAP1 P46937 1/20 0.45
GAA P10253 1/20 0.45
RAB9A P51151 1/20 0.45
CTSL P07711 1/20 0.45
CTSB P07858 1/20 0.45
ABCB1 P08183 1/20 0.45

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
SCHEMBL2523784 1.00 ITGB3 (0.53) ITGB3ITGA2BKLK5HDAC8MEN1
SCHEMBL10054710 0.96 HDAC8 (0.51) ITGB3ITGA2BKLK5HDAC8MEN1
SCHEMBL15674211 0.94 ITGB3 (0.54) ITGB3ITGA2BKLK5HDAC8MEN1
SCHEMBL15674214 0.94 ITGB3 (0.54) ITGB3ITGA2BKLK5HDAC8MEN1
SCHEMBL18025355 0.92 ITGB3 (0.53) ITGB3ITGA2BKLK5HDAC8BCL2
SCHEMBL15699462 0.91 SMN1; SMN2 (0.53) ITGB3ITGA2BHDAC8ALDH1A1BCL2
SCHEMBL2219572 0.90 ITGB3 (0.66) ITGB3ITGA2BHDAC8BCL2PTPN1
SCHEMBL15697431 0.90 ITGB3 (0.54) ITGB3ITGA2BHDAC8BCL2PTPN1
SCHEMBL7086188 0.90 ITGB3 (0.66) ITGB3ITGA2BHDAC8BCL2PTPN1
SCHEMBL2219578 0.90 ITGB3 (0.66) ITGB3ITGA2BHDAC8BCL2PTPN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111302975-A Preparation method of N-tert-butyloxycarbonyl-O-allyl-L-tyrosine 滨海吉尔多肽有限公司 2020-06-19 CN disclosed
US-8524657-B2 Peptidic compounds UNIVERSITY OF WOLLONGONG (AU) 2013-09-03 US disclosed
US-8309055-B2 PET radiotracers HAMMERSMITH IMANET LIMITED (GB) 2012-11-13 US disclosed
US-20120130122-A1 PET RADIOTRACERS HAMMERSMITH IMANET LIMITED (GB) 2012-05-24 US disclosed
US-20110312875-A1 PEPTIDIC COMPOUNDS UNIVERSITY OF WOLLONGONG (AU) 2011-12-22 US disclosed
US-8039430-B2 Peptidic compounds UNIVERSITY OF WOLLONGONG (AU) 2011-10-18 US disclosed
US-8039430-B2 Peptidic compounds UNIVERSITY OF WOLLONGONG (AU) 2011-10-18 US disclosed
US-20080300287-A1 Peptidic Compounds UNIVERSITY OF WOLLONGONG (AU) 2008-12-04 US disclosed
US-20080300287-A1 Peptidic Compounds UNIVERSITY OF WOLLONGONG (AU) 2008-12-04 US disclosed
US-20080292552-A1 Pet Radiotracers ARSTAD ERIK 2008-11-27 US disclosed
US-5599926-A PEPTIDE BONDING PROPERTIES MAKE IT USEFUL IN PURIFICATION PROCESSES THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 1997-02-04 US disclosed
WO-1995020590-A1 ENANTIOSELECTIVE RECEPTORS FOR AMINO ACID DERIVATIVES, AND OTHER COMPOUNDS THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 1995-08-03 WO 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 (4 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-20080300287-A1 Peptidic Compounds VIP, NGLY1, FURIN ITGB3 2966/4885ITGA2B 4105/4885KLK5 85/4885
US-20120130122-A1 PET RADIOTRACERS TMEM14C, PIGO, SLCO2B1 ITGB3 1125/4885ITGA2B 2565/4885KLK5 1573/4885
US-20110312875-A1 PEPTIDIC COMPOUNDS VIP, NGLY1, FURIN ITGB3 2456/4885ITGA2B 3961/4885KLK5 80/4885
US-20080292552-A1 Pet Radiotracers TMEM14C, PIGO, SLCO2B1 ITGB3 1125/4885ITGA2B 2565/4885KLK5 1573/4885

“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.