SCHEMBL2786342

SCHEMBL2786342

O=C(NC1CCN([C@H]2CCC3(C[C@H]2C(=O)O)OCCO3)C1=O)OCc1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CASP3 P42574 2/20 0.44
PREP P48147 2/20 0.42
ALDH1A1 P00352 1/20 0.41
GAA P10253 1/20 0.41
CTSK P43235 5/20 0.40
CASP1 P29466 1/20 0.40
CTSB P07858 3/20 0.39
CTSL P07711 1/20 0.39
CTSS P25774 2/20 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
SCHEMBL1841848 1.00 CASP3 (0.44) CASP3PREPALDH1A1GAACTSK
SCHEMBL12156504 1.00 CASP3 (0.44) CASP3PREPALDH1A1GAACTSK
SCHEMBL1842398 0.91 CASP3 (0.41) CASP3PREPCTSKCASP1CTSB
SCHEMBL13411399 0.91 CASP3 (0.41) CASP3PREPCTSKCASP1CTSB
SCHEMBL13600777 0.89 CASP3 (0.40) CASP3PREPCTSKCASP1CTSB
SCHEMBL13600773 0.88 CASP3 (0.42) CASP3PREPCTSKCASP1CTSB
SCHEMBL2341992 0.88 CASP3 (0.41) CASP3PREPCTSKCASP1CTSB
SCHEMBL12156505 0.88 CASP3 (0.42) CASP3PREPCTSKCASP1CTSB
SCHEMBL1842401 0.87 CASP3 (0.40) CASP3PREPALDH1A1GAACTSK
SCHEMBL1842404 0.87 CASP3 (0.40) CASP3PREPALDH1A1GAACTSK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250057958-A1 CYTOTOXICITY TARGETING CHIMERAS FOR CCR2-EXPRESSING CELLS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2025-02-20 US disclosed
WO-2023161881-A1 CYTOTOXICITY TARGETING CHIMERAS FOR CCR2-EXPRESSING CELLS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2023-08-31 WO disclosed
EP-2049477-B1 MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY, CRYSTALLINE FORMS AND PROCESS BRISTOL MYERS SQUIBB CO (US) 2010-06-23 EP disclosed
EP-2194051-A1 Process for preparing compounds useful as intermediates for the preparation of modulators of chemokine receptor activity Bristol-Myers Squibb Company (US) 2010-06-09 EP disclosed
EP-2184283-A1 Process for preparing compounds useful as intermediates for the preparation of modulators of chemokine receptor activity Bristol-Myers Squibb Company (US) 2010-05-12 EP disclosed
US-20100113489-A1 MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY, CRYSTALLINE FORMS AND PROCESS BRISTOL-MYERS SQUIBB COMPANY 2010-05-06 US disclosed
US-7671062-B2 Modulators of chemokine receptor activity, crystalline forms and process BRISTOL-MYERS SQUIBB COMPANY (US) 2010-03-02 US disclosed
US-7629351-B2 N-((1R,2S,5R)-5-(tert-butylamino)-2-((S)-2-oxo-3-(6-(trifluoromethyl)quinazolin-4-ylamino) pyrrolidin-1-yl)cyclohexyl)acetamide and other modulators of chemokine receptor activity, crystalline forms and process BRISTOL-MYERS SQUIBB COMPANY (US) 2009-12-08 US disclosed
US-20080027084-A1 MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY CRYSTALLINE FORMS AND PROCESS BRISTOL-MYERS SQUIBB COMPANY 2008-01-31 US disclosed
US-20080027083-A1 MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY CRYSTALLINE FORMS AND PROCESS BRISTOL-MYERS SQUIBB COMPANY 2008-01-31 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 (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-20250057958-A1 CYTOTOXICITY TARGETING CHIMERAS FOR CCR2-EXPRESSING CELLS CCR2, CCR1, CCRL2 CASP3 845/4885PREP 2183/4885ALDH1A1 4466/4885
US-20080027084-A1 MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY CRYSTALLINE FORMS AND PROCESS ACKR3, CCR1, CXCR1 CASP3 1476/4885PREP 1946/4885ALDH1A1 1518/4885
US-20080027083-A1 MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY CRYSTALLINE FORMS AND PROCESS ACKR3, CCR1, CCR2 CASP3 1564/4885PREP 1642/4885ALDH1A1 1437/4885
US-20100113489-A1 MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY, CRYSTALLINE FORMS AND PROCESS ACKR3, CCR1, CCR2 CASP3 1702/4885PREP 1931/4885ALDH1A1 1192/4885

“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.