SCHEMBL3007900

SCHEMBL3007900

Cn1cncc1C[C@H](NC(=O)OC(C)(C)C)C(=O)O

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ACE P12821 2/20 0.49
ITGA4 P13612 2/20 0.48
ITGB7 P26010 2/20 0.48
ITGB3 P05106 1/20 0.44
ITGA2B P08514 1/20 0.44
PPARA Q07869 8/20 0.42
PPARG P37231 7/20 0.42
PPARD Q03181 2/20 0.41
CTSS P25774 3/20 0.40
CTSK P43235 2/20 0.40
CTSL P07711 1/20 0.40
CTSB P07858 1/20 0.40
AKT1 P31749 1/20 0.40
PTPN1 P18031 1/20 0.40
MAPK1 P28482 1/20 0.40
IDO1 P14902 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
SCHEMBL3007905 1.00 ACE (0.49) ACEITGA4ITGB7ITGB3ITGA2B
SCHEMBL7052233 1.00 ACE (0.49) ACEITGA4ITGB7ITGB3ITGA2B
SCHEMBL23824316 0.90 CTSL (0.47) ACEITGA4ITGB7CTSSCTSK
SCHEMBL23824319 0.90 CTSL (0.47) ACEITGA4ITGB7CTSSCTSK
SCHEMBL13301861 0.90 ACE (0.39) ACEITGA4ITGB7PPARAPPARG
SCHEMBL24807994 0.89 KLK5 (0.43) ACEITGA4ITGB7CTSSCTSK
SCHEMBL15729185 0.89 KLK5 (0.43) ACEITGA4ITGB7CTSSCTSK
SCHEMBL10609619 0.89 REN (0.41) ACEITGA4ITGB7CTSSCTSK
SCHEMBL634586 0.87 ITGA4 (0.45) ACEITGA4ITGB7
SCHEMBL6957298 0.85 ACE (0.50) ACEITGA4ITGB7ITGB3ITGA2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4747260-A1 MACROCYCLES FOR THE TREATMENT OF AUTOIMMUNE DISEASE F. Hoffmann-La Roche AG (CH) 2026-05-27 EP disclosed
US-20260116857-A1 INHIBITORS OF CYSTEINE PROTEASES AND METHODS OF USE THEREOFS PARDES BIOSCIENCES INC (US) 2026-04-30 US disclosed
WO-2025021666-A1 MACROCYCLES FOR THE TREATMENT OF AUTOIMMUNE DISEASE F. HOFFMANN-LA ROCHE AG (CH) 2025-01-30 WO disclosed
US-12145911-B2 Inhibitors of cysteine proteases and methods of use thereof Pardes Biosciences, Inc. (US) 2024-11-19 US disclosed
US-20240270721-A1 INHIBITORS OF CYSTEINE PROTEASES AND METHODS OF USE THEREOF Pardes Biosciences, Inc. 2024-08-15 US disclosed
US-20240270693-A1 INHIBITORS OF CYSTEINE PROTEASES AND METHODS OF USE THEREOF Pardes Biosciences, Inc. (US) 2024-08-15 US disclosed
US-20230212152-A1 INHIBITORS OF CYSTEINE PROTEASES AND METHODS OF USE THEREOF Pardes Biosciences, Inc. 2023-07-06 US disclosed
US-20230192663-A1 INHIBITORS OF CYSTEINE PROTEASES AND METHODS OF USE THEREOF Pardes Biosciences, Inc. 2023-06-22 US disclosed
EP-4161902-A1 INHIBITORS OF CYSTEINE PROTEASES AND METHODS OF USE THEREOF Pardes Biosciences, Inc. (US) 2023-04-12 EP disclosed
US-20220402896-A1 INHIBITORS OF CYSTEINE PROTEASES AND METHODS OF USE THEREOF Pardes Biosciences, Inc. 2022-12-22 US disclosed
WO-2008157162-A1 DIPEPTIDE ANALOGS AS COAGULATION FACTOR INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2008-12-24 WO disclosed
US-20080207563-A1 METHOD FOR INHIBITING PROLIFERATION OF TUMOR CELLS NIU HUIFENG 2008-08-28 US disclosed
US-7371869-B2 Substituted hydantoins HOFFMANN-LA ROCHE INC. (US) 2008-05-13 US disclosed
US-20070197617-A1 Substituted hydantoins CHEN SHAOQING 2007-08-23 US disclosed
EP-1363925-B1 MACROLIDE ANTIBIOTICS GLAXO GROUP LTD (GB) 2006-11-15 EP disclosed
US-20060063814-A1 Substituted hydantoins GOODNOW ROBERT A JR 2006-03-23 US disclosed
US-20040006093-A1 Compounds which inhibit leukocyte adhesion mediated by VLA-4 BIOGEN IDEC INTERNATIONAL HOLDING LTD. (BM) 2004-01-08 US disclosed
US-6583139-B1 Treatment of inflammatory diseases; inflammatory brain diseases such as multiple sclerosis; N-(Toluene-4-sulfonyl)-L-prolyl-4-(alpha -methylbenzyloxy)-L-phenylalanine; Very Late Antigen 4 BIOGEN IDEC INTERNATIONAL HOLDING LTD. (BM) 2003-06-24 US disclosed
EP-0994896-A1 SULFONYLATED DIPEPTIDE COMPOUNDS WHICH INHIBIT LEUKOCYTE ADHESION MEDIATED BY VLA-4 Elan Pharmaceuticals, Inc. (US) 2000-04-26 EP disclosed
WO-1999006437-A1 SULFONYLATED DIPEPTIDE COMPOUNDS WHICH INHIBIT LEUKOCYTE ADHESION MEDIATED BY VLA-4 ELAN PHARMACEUTICALS INC. (US) 1999-02-11 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 (11 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-20070197617-A1 Substituted hydantoins HNMT, HRH3, BRAF ACE 1322/4885ITGA4 4701/4885ITGB7 4063/4885
US-20260116857-A1 INHIBITORS OF CYSTEINE PROTEASES AND METHODS OF USE THEREOFS CTRC, CTRL, CTSL ACE 71/4885ITGA4 4152/4885ITGB7 3127/4885
US-20220402896-A1 INHIBITORS OF CYSTEINE PROTEASES AND METHODS OF USE THEREOF CTSV, CTRL, CTSL ACE 60/4885ITGA4 4720/4885ITGB7 3948/4885
US-20240270693-A1 INHIBITORS OF CYSTEINE PROTEASES AND METHODS OF USE THEREOF CTRL, CTSV, CTSL ACE 77/4885ITGA4 4765/4885ITGB7 4530/4885
US-20240270721-A1 INHIBITORS OF CYSTEINE PROTEASES AND METHODS OF USE THEREOF CTSV, CTRL, CTSL ACE 60/4885ITGA4 4720/4885ITGB7 3948/4885
US-20230192663-A1 INHIBITORS OF CYSTEINE PROTEASES AND METHODS OF USE THEREOF CTSV, CTRL, CTSL ACE 60/4885ITGA4 4720/4885ITGB7 3948/4885
US-20060063814-A1 Substituted hydantoins HNMT, MAPK6, KYNU ACE 1332/4885ITGA4 4478/4885ITGB7 4209/4885
US-20040006093-A1 Compounds which inhibit leukocyte adhesion mediated by VLA-4 VCAM1, ICAM1, CD4 ACE 1912/4885ITGA4 9/4885ITGB7 181/4885
US-12145911-B2 Inhibitors of cysteine proteases and methods of use thereof CTRL, CTSV, CTSL ACE 77/4885ITGA4 4765/4885ITGB7 4530/4885
US-20080207563-A1 METHOD FOR INHIBITING PROLIFERATION OF TUMOR CELLS MKI67, BRAF, MYC ACE 600/4885ITGA4 2886/4885ITGB7 1876/4885
US-20230212152-A1 INHIBITORS OF CYSTEINE PROTEASES AND METHODS OF USE THEREOF CTRL, CTSL, CTSV ACE 81/4885ITGA4 4751/4885ITGB7 4079/4885

“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.