SCHEMBL4023206

SCHEMBL4023206

CC(C)(C)OC(=O)N[C@@H](CCC(=O)N1CCOCC1)C(=O)O

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PIN1 Q13526 6/20 0.50
CTSL P07711 3/20 0.48
CTSB P07858 3/20 0.48
CTSD P07339 2/20 0.48
CTSS P25774 2/20 0.48
CTSK P43235 3/20 0.47
USP2 O75604 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
GLA P06280 1/20 0.44
TSHR P16473 2/20 0.41
LMNA P02545 1/20 0.41
POLB P06746 1/20 0.41
ITGB3 P05106 2/20 0.41
ITGA2B P08514 2/20 0.41
ALDH1A1 P00352 1/20 0.40

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
SCHEMBL4023208 1.00 PIN1 (0.50) PIN1CTSLCTSBCTSDCTSS
SCHEMBL25219443 1.00 PIN1 (0.50) PIN1CTSLCTSBCTSDCTSS
SCHEMBL13687944 0.89 CTSK (0.48) PIN1CTSLCTSBCTSDCTSS
SCHEMBL21409319 0.88 CTSK (0.44) CTSSCTSKTSHRITGB3ITGA2B
SCHEMBL21409318 0.88 CTSK (0.44) CTSSCTSKTSHRITGB3ITGA2B
SCHEMBL3892487 0.87 CTSK (0.45) CTSSCTSKTSHRITGB3ITGA2B
SCHEMBL3892481 0.87 CTSK (0.45) CTSSCTSKTSHRITGB3ITGA2B
SCHEMBL25219487 0.87 CTSS (0.50) CTSLCTSBCTSDCTSSCTSK
SCHEMBL7060009 0.87 CTSS (0.50) CTSLCTSBCTSDCTSSCTSK
SCHEMBL6843347 0.87 CTSS (0.50) CTSLCTSBCTSDCTSSCTSK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108117582-A Big ring epoxy ketone peptides and preparation method thereof and medical usage 浙江大学 2018-06-05 CN disclosed
US-7589115-B2 Derivatives of [6,7-dihydro-5H-imidazo[1,2-α]imidazole-3-sulfonylamino]-propionamide BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2009-09-15 US disclosed
US-7589115-B2 Derivatives of [6,7-dihydro-5H-imidazo[1,2-α]imidazole-3-sulfonylamino]-propionamide BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2009-09-15 US disclosed
US-7589115-B2 Derivatives of [6,7-dihydro-5H-imidazo[1,2-α]imidazole-3-sulfonylamino]-propionamide BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2009-09-15 US disclosed
US-20080090819-A1 DERIVATIVES OF [6,7-DIHYDRO-5H-IMIDAZO[1,2-a]IMIDAZOLE-3-SULFONYLAMINO]-PROPIONAMIDE BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2008-04-17 US disclosed
US-20080090819-A1 DERIVATIVES OF [6,7-DIHYDRO-5H-IMIDAZO[1,2-a]IMIDAZOLE-3-SULFONYLAMINO]-PROPIONAMIDE BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2008-04-17 US disclosed
US-20080090819-A1 DERIVATIVES OF [6,7-DIHYDRO-5H-IMIDAZO[1,2-a]IMIDAZOLE-3-SULFONYLAMINO]-PROPIONAMIDE BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2008-04-17 US disclosed
US-7345074-B2 Derivatives of [6,7-dihydro-5H-imidazol[1,2-a]imidazole-3-sulfonylamino]-propionamide BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2008-03-18 US disclosed
US-7345074-B2 Derivatives of [6,7-dihydro-5H-imidazol[1,2-a]imidazole-3-sulfonylamino]-propionamide BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2008-03-18 US disclosed
US-7345074-B2 Derivatives of [6,7-dihydro-5H-imidazol[1,2-a]imidazole-3-sulfonylamino]-propionamide BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2008-03-18 US disclosed
US-7304067-B2 Derivatives of [6,7-dihydro-5H-imidazo[1,2-a]imidazole-3-sulfonylamino]-propionamide BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2007-12-04 US disclosed
US-7304067-B2 Derivatives of [6,7-dihydro-5H-imidazo[1,2-a]imidazole-3-sulfonylamino]-propionamide BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2007-12-04 US disclosed
EP-1560830-B1 DERIVATIVES OF [6, 7-DIHYDRO-5H-IMIDAZO[1,2 - A]IMIDAZOLE -3 -SULFONYLAMINO]-PROPIONAMIDE AND THEIR USE AS INHIBITORS UPON THE INTERACTION OF CAMS AND LEUKOINTEGRINS BOEHRINGER INGELHEIM PHARMA (US) 2006-10-25 EP disclosed
EP-1712553-A2 Derivates of [6, 7-dihydro - 5H - imidazo[1,2- alpha]imidazole-3-sulfonylamino]-propionamide and their use as inhibitors upon the interaction of CAMS and leukointegrins Boehringer Ingelheim Pharmaceuticals, Inc. (US) 2006-10-18 EP disclosed
EP-1560830-A2 DERIVATIVES OF [6, 7 - DIHYDRO - 5H - IMIDAZO [1,2 - A] IMIDAZOLE - 3 - SULFONYLAMINO]- PROPIONAMIDE AND THEIR USE AS INHIBITORS UPON THE INTERACTION OF CAMS AND LEUKOINTEGRINS BOEHRINGER INGELHEIM PHARMACEUTICALS INC. (US) 2005-08-10 EP disclosed
US-20050165027-A1 Derivatives of [6,7-dihydro-5H-imidazo[1,2-a]imidazole-3-sulfonylamino]-propionamide BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2005-07-28 US disclosed
US-20050054703-A1 Derivatives of [6,7-dihydro-5H-imidazo[1,2-a]imidazole-3-sulfonylamino]-propionamide BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2005-03-10 US disclosed
US-6844360-B2 Derivatives of [6,7-dihydro-5H-imidazo[1,2-a]imidazole-3-sulfonylamino]-propionamide BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2005-01-18 US disclosed
US-20040127534-A1 Derivatives of [6,7-dihydro-5H-imidazo[1,2-a]imidazole-3-sulfonylamino]-propionamide BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. 2004-07-01 US disclosed
WO-2004041827-A2 DERIVATIVES OF [6,7-DIHYDRO-5H-IMIDAZO[1,2-α] IMIDAZOLE-3-SULFONYLAMINO]-PROPIONAMIDE AND THEIR USE AS INHIBITORS UPON THE INTERACTION OF CAMS AND LEUKO INTEGRINS BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2004-05-21 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-20040127534-A1 Derivatives of [6,7-dihydro-5H-imidazo[1,2-a]imidazole-3-sulfonylamino]-propionamide ARG1, ARG2, HPGDS PIN1 1849/4885CTSL 1522/4885CTSB 2823/4885
US-20080090819-A1 DERIVATIVES OF [6,7-DIHYDRO-5H-IMIDAZO[1,2-a]IMIDAZOLE-3-SULFONYLAMINO]-PROPIONAMIDE HPGDS, PTGIS, API5 PIN1 1130/4885CTSL 747/4885CTSB 1577/4885
US-20050054703-A1 Derivatives of [6,7-dihydro-5H-imidazo[1,2-a]imidazole-3-sulfonylamino]-propionamide HPGDS, PTGIS, API5 PIN1 1130/4885CTSL 747/4885CTSB 1577/4885
US-20050165027-A1 Derivatives of [6,7-dihydro-5H-imidazo[1,2-a]imidazole-3-sulfonylamino]-propionamide HPGDS, PTGIS, API5 PIN1 1130/4885CTSL 747/4885CTSB 1577/4885

“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.