SCHEMBL1620166

SCHEMBL1620166

CCOC(=O)C(Cc1ccc(N)cc1)NC(=O)OC(C)(C)C

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSS P25774 6/20 0.50
CTSK P43235 5/20 0.50
CYP1A2 P05177 1/20 0.50
CYP2C9 P11712 1/20 0.50
CYP2C19 P33261 1/20 0.50
HTT P42858 1/20 0.50
ALDH1A1 P00352 3/20 0.49
MAPT P10636 3/20 0.49
PPID Q08752 2/20 0.49
KLK5 Q9Y337 1/20 0.49
CTSL P07711 1/20 0.49
CTSB P07858 1/20 0.49
ITGB3 P05106 1/20 0.47
ITGA2B P08514 1/20 0.47
ACE P12821 1/20 0.47
TACR1 P25103 1/20 0.46
KDM4E B2RXH2 1/20 0.46
GAA P10253 1/20 0.46
PKM P14618 1/20 0.46
HPGD P15428 1/20 0.46

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
SCHEMBL13913373 1.00 CTSS (0.50) CTSSCTSKCYP1A2CYP2C9CYP2C19
SCHEMBL2982541 1.00 CTSS (0.50) CTSSCTSKCYP1A2CYP2C9CYP2C19
SCHEMBL31321421 0.91 CTSS (0.53) CTSSCTSKMAPTKLK5CTSL
SCHEMBL6675710 0.91 CTSS (0.53) CTSSCTSKMAPTKLK5CTSL
SCHEMBL10143850 0.91 CTSS (0.53) CTSSCTSKMAPTKLK5CTSL
SCHEMBL18239927 0.90 CTSS (0.60) CTSSCTSKALDH1A1MAPTKLK5
SCHEMBL3498608 0.90 KLK5 (0.60) CTSSCTSKKLK5CTSLCTSB
SCHEMBL14803767 0.90 PPARG (0.53) CTSSCTSKCYP1A2CYP2C9CYP2C19
SCHEMBL20045974 0.90 PPARG (0.53) CTSSCTSKCYP1A2CYP2C9CYP2C19
SCHEMBL19212612 0.90 KLK5 (0.60) CTSSCTSKKLK5CTSLCTSB

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 49 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7928236-B2 Fluorescent amino acid derivatives NATIONAL UNIVERSITY CORPORATION OKAYAMA UNIVERSITY (JP) 2011-04-19 US claimed
US-20100152417-A1 Fluorescent Amino Acid Derivatives NATIONAL UNIVERSITY CORPORATION OKAYAMA UNIVERSITY (JP) 2010-06-17 US claimed
US-7928236-B2 Fluorescent amino acid derivatives NATIONAL UNIVERSITY CORPORATION OKAYAMA UNIVERSITY (JP) 2011-04-19 US disclosed
US-7928236-B2 Fluorescent amino acid derivatives NATIONAL UNIVERSITY CORPORATION OKAYAMA UNIVERSITY (JP) 2011-04-19 US disclosed
US-7928236-B2 Fluorescent amino acid derivatives NATIONAL UNIVERSITY CORPORATION OKAYAMA UNIVERSITY (JP) 2011-04-19 US disclosed
US-7786177-B2 Phenylalanine enamide derivatives UCB PHARMA S.A. (BE) 2010-08-31 US disclosed
US-20100152417-A1 Fluorescent Amino Acid Derivatives NATIONAL UNIVERSITY CORPORATION OKAYAMA UNIVERSITY (JP) 2010-06-17 US disclosed
US-20100152417-A1 Fluorescent Amino Acid Derivatives NATIONAL UNIVERSITY CORPORATION OKAYAMA UNIVERSITY (JP) 2010-06-17 US disclosed
US-20100152417-A1 Fluorescent Amino Acid Derivatives NATIONAL UNIVERSITY CORPORATION OKAYAMA UNIVERSITY (JP) 2010-06-17 US disclosed
US-7645770-B2 Phenylalanine enamide derivatives UCB PHARMA S.A. (BE) 2010-01-12 US disclosed
US-20090186914-A1 Phenylalanine Enamide Derivatives UCB PHARMA, S.A. (BE) 2009-07-23 US disclosed
WO-2002068393-A1 PHENYLALANINE ENAMIDE DERIVATIVES POSSESSING A CYCLOBUTENE GROUP, FOR USE AS INTEGRIN INHIBITORS CELLTECH R & D LIMITED (GB) 2002-09-06 WO disclosed
US-20020115684-A1 2, 7-naphthyridine derivatives CELLTECH R&D, LTD. (GB) 2002-08-22 US disclosed
US-20020037909-A1 Enamine derivatives UCB PHARMA S.A. (BE) 2002-03-28 US disclosed
US-20020028812-A1 Phenylalanine derivatives CELLTECH CHIROSCIENCE LIMITED (GB) 2002-03-07 US disclosed
EP-1181266-A1 SQUARIC ACID DERIVATIVES AS CELL ADHESION MOLECULES Celltech R&D Limited (GB) 2002-02-27 EP disclosed
WO-2001079173-A2 ENAMINE DERIVATIVES AS CELL ADHESION MOLECULES CELLTECH R & D LIMITED (GB) 2001-10-25 WO disclosed
EP-1117657-A1 PHENYLALANINE DERIVATIVES AS ALPHA 4 INTEGRIN INHIBITORS CELLTECH THERAPEUTICS LIMITED (GB) 2001-07-25 EP disclosed
WO-2000073260-A1 SQUARIC ACID DERIVATIVES AS CELL ADHESION MOLECULES CELLTECH R&D LIMITED (GB) 2000-12-07 WO disclosed
WO-2000018759-A1 PHENYLALANINE DERIVATIVES AS ALPHA 4 INTEGRIN INHIBITORS CELLTECH THERAPEUTICS LIMITED (GB) 2000-04-06 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 (5 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-20020028812-A1 Phenylalanine derivatives PAH, FPR1, VCAM1 CTSS 3430/4885CTSK 4202/4885CYP1A2 588/4885
US-20020037909-A1 Enamine derivatives CCR1, ITGB2, CCR10 CTSS 2409/4885CTSK 1977/4885CYP1A2 521/4885
US-20100152417-A1 Fluorescent Amino Acid Derivatives BCAT1, BCAT2, DNPEP CTSS 2754/4885CTSK 2856/4885CYP1A2 4203/4885
US-20020115684-A1 2, 7-naphthyridine derivatives VCAM1, ICAM1, SELL CTSS 1875/4885CTSK 2831/4885CYP1A2 1658/4885
US-20090186914-A1 Phenylalanine Enamide Derivatives PAH, HRH3, PRLHR CTSS 1681/4885CTSK 1532/4885CYP1A2 811/4885

“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.