SCHEMBL4546558

SCHEMBL4546558

CC(C)(C)OC(=O)N[C@@H](Cc1cccc(S(C)(=O)=O)c1)C(=O)OCc1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CTSS P25774 7/20 0.52
CTSK P43235 5/20 0.52
CTSB P07858 4/20 0.52
BCL2 P10415 1/20 0.51
ACE P12821 1/20 0.50
CTSL P07711 2/20 0.49
KLK5 Q9Y337 1/20 0.49
TACR1 P25103 1/20 0.48
PPARA Q07869 1/20 0.48
POLB P06746 2/20 0.47
EPHX2 P34913 1/20 0.46
ABCB1 P08183 1/20 0.46
MAPT P10636 1/20 0.46
MAPK1 P28482 1/20 0.46
SYK P43405 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
SCHEMBL31106950 1.00 CTSS (0.52) CTSSCTSKCTSBBCL2ACE
SCHEMBL10156301 0.89 KLK5 (0.55) CTSSCTSKCTSBBCL2ACE
SCHEMBL29722671 0.88 ACE (0.60) CTSSCTSKCTSBBCL2ACE
SCHEMBL28789425 0.88 ACE (0.60) CTSSCTSKCTSBBCL2ACE
SCHEMBL4546557 0.88 ACE (0.60) CTSSCTSKCTSBBCL2ACE
SCHEMBL14999574 0.86 POLB (0.47) ACETACR1POLBMAPT
SCHEMBL1827307 0.86 P2RX7 (0.53) CTSSCTSKCTSBBCL2ACE
SCHEMBL20905929 0.86 CTSS (0.56) CTSSCTSKCTSBACECTSL
SCHEMBL14576685 0.86 CTSS (0.56) CTSSCTSKCTSBACECTSL
SCHEMBL30051055 0.86 CTSS (0.56) CTSSCTSKCTSBACECTSL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230331711-A1 CRYSTALLINE PHARMACEUTICAL AND METHODS OF PREPARATION AND USE THEREOF BAUSCH + LOMB IRELAND LIMITED (IE) 2023-10-19 US disclosed
US-20230331711-A1 CRYSTALLINE PHARMACEUTICAL AND METHODS OF PREPARATION AND USE THEREOF BAUSCH + LOMB IRELAND LIMITED (IE) 2023-10-19 US disclosed
US-20220073500-A1 CRYSTALLINE PHARMACEUTICAL AND METHODS OF PREPARATION AND USE THEREOF NOVARTIS PHARMACEUTICALS CORPORATION (US) 2022-03-10 US disclosed
US-11028077-B2 Crystalline pharmaceutical and methods of preparation and use thereof NOVARTIS PHARMACEUTICALS CORPORATION (US) 2021-06-08 US disclosed
US-10906892-B2 LFA-1 inhibitor and methods of preparation and polymorph thereof NOVARTIS PHARMACEUTICALS CORPORATION (US) 2021-02-02 US disclosed
US-20180118726-A1 LFA-1 INHIBITOR AND METHODS OF PREPARATION AND POLYMORPH THEREOF SARCODE BIOSCIENCE INC. (US) 2018-05-03 US disclosed
US-20180118726-A1 LFA-1 INHIBITOR AND METHODS OF PREPARATION AND POLYMORPH THEREOF SARCODE BIOSCIENCE INC. (US) 2018-05-03 US disclosed
US-9890141-B2 Crystalline pharmaceutical and methods of preparation and use thereof SARCODE BIOSCIENCE INC. (US) 2018-02-13 US disclosed
US-9890141-B2 Crystalline pharmaceutical and methods of preparation and use thereof SARCODE BIOSCIENCE INC. (US) 2018-02-13 US disclosed
US-9708303-B2 LFA-1 inhibitor and methods of preparation and polymorph thereof SARCODE BIOSCIENCE INC. (US) 2017-07-18 US disclosed
US-20130150585-A1 Crystalline Pharmaceutical and Methods of Preparation and Use Thereof SARcode Bioscience, Inc. (US) 2013-06-13 US disclosed
US-8378105-B2 Crystalline pharmaceutical and methods of preparation and use thereof SARCODE BIOSCIENCE INC. (US) 2013-02-19 US disclosed
US-8378105-B2 Crystalline pharmaceutical and methods of preparation and use thereof SARCODE BIOSCIENCE INC. (US) 2013-02-19 US disclosed
US-8367701-B2 Crystalline pharmaceutical and methods of preparation and use thereof SARCODE BIOSCIENCE INC. (US) 2013-02-05 US disclosed
US-8367701-B2 Crystalline pharmaceutical and methods of preparation and use thereof SARCODE BIOSCIENCE INC. (US) 2013-02-05 US disclosed
US-20120107404-A1 Crystalline Pharmaceutical and Methods of Preparation and Use Thereof SARCODE BIOSCIENCE INC. (US) 2012-05-03 US disclosed
US-8080562-B2 Crystalline pharmaceutical and methods of preparation and use thereof SARCODE BIOSCIENCE INC. (US) 2011-12-20 US disclosed
US-8080562-B2 Crystalline pharmaceutical and methods of preparation and use thereof SARCODE BIOSCIENCE INC. (US) 2011-12-20 US disclosed
US-20110092707-A1 Crystalline Pharmaceutical and Methods of Preparation and Use Thereof SARCODE CORPORATION (US) 2011-04-21 US disclosed
US-20090298869-A1 Crystalline pharmaceutical and methods of preparation and use thereof CITIBANK, N.A., AS NOTES COLLATERAL AGENT 2009-12-03 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 (9 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-11028077-B2 Crystalline pharmaceutical and methods of preparation and use thereof VCAM1, ICAM1, HLA-DRB1 CTSS 658/4885CTSK 978/4885CTSB 420/4885
US-20120107404-A1 Crystalline Pharmaceutical and Methods of Preparation and Use Thereof VCAM1, ICAM1, HLA-DRB1 CTSS 658/4885CTSK 978/4885CTSB 420/4885
US-20220073500-A1 CRYSTALLINE PHARMACEUTICAL AND METHODS OF PREPARATION AND USE THEREOF VCAM1, ICAM1, HLA-DRB1 CTSS 658/4885CTSK 978/4885CTSB 420/4885
US-20090298869-A1 Crystalline pharmaceutical and methods of preparation and use thereof VCAM1, ICAM1, HLA-DRB1 CTSS 658/4885CTSK 978/4885CTSB 420/4885
US-20230331711-A1 CRYSTALLINE PHARMACEUTICAL AND METHODS OF PREPARATION AND USE THEREOF VCAM1, ICAM1, HLA-DRB1 CTSS 658/4885CTSK 978/4885CTSB 420/4885
US-20110092707-A1 Crystalline Pharmaceutical and Methods of Preparation and Use Thereof VCAM1, ICAM1, HLA-DRB1 CTSS 658/4885CTSK 978/4885CTSB 420/4885
US-20130150585-A1 Crystalline Pharmaceutical and Methods of Preparation and Use Thereof VCAM1, ICAM1, HLA-DRB1 CTSS 658/4885CTSK 978/4885CTSB 420/4885
US-10906892-B2 LFA-1 inhibitor and methods of preparation and polymorph thereof ITGB1, ITGA1, VCAM1 CTSS 2119/4885CTSK 1932/4885CTSB 1530/4885
US-20180118726-A1 LFA-1 INHIBITOR AND METHODS OF PREPARATION AND POLYMORPH THEREOF ITGB1, ITGA1, VCAM1 CTSS 2119/4885CTSK 1932/4885CTSB 1530/4885

“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.