SCHEMBL3249760

SCHEMBL3249760

N[C@@H]1C[C@H](NC(=O)O)CC[C@@H]1N1CC[C@H](NC(=O)OCc2ccccc2)C1=O

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 1/20 0.49
▸ GAA P10253 1/20 0.49
▸ TSHR P16473 1/20 0.47
▸ PREP P48147 2/20 0.45
▸ DPP4 P27487 4/20 0.45
▸ DPP7 Q9UHL4 4/20 0.45
▸ KCNH2 Q12809 3/20 0.45
▸ CTSK P43235 2/20 0.44
▸ CTSL P07711 1/20 0.44
▸ CTSB P07858 1/20 0.44
▸ TLR4 O00206 1/20 0.43
▸ CASP1 P29466 1/20 0.43
▸ CASP3 P42574 1/20 0.42
▸ CPB1 P15086 1/20 0.41

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
SCHEMBL3249769 1.00 ALDH1A1 (0.49) ALDH1A1GAATSHRPREPDPP4
SCHEMBL3731016 0.88 ALDH1A1 (0.47) ALDH1A1GAATSHRPREPDPP4
SCHEMBL3731023 0.88 ALDH1A1 (0.47) ALDH1A1GAATSHRPREPDPP4
SCHEMBL3745092 0.87 ALDH1A1 (0.46) ALDH1A1GAATSHRPREPDPP4
SCHEMBL3745098 0.87 ALDH1A1 (0.46) ALDH1A1GAATSHRPREPDPP4
SCHEMBL3743161 0.87 ALDH1A1 (0.45) ALDH1A1GAATSHRPREPDPP4
SCHEMBL3743156 0.87 ALDH1A1 (0.45) ALDH1A1GAATSHRPREPDPP4
SCHEMBL2785645 0.86 CCR2 (0.49) ALDH1A1GAATSHRPREPCTSK
SCHEMBL2785651 0.86 CCR2 (0.49) ALDH1A1GAATSHRPREPCTSK
SCHEMBL3249696 0.84 PREP (0.45) ALDH1A1GAATSHRPREPCTSK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2049519-B9 CYCLIC DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY BRISTOL MYERS SQUIBB CO (US) 2010-12-29 — — EP disclosed
EP-2049519-B1 CYCLIC DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY BRISTOL MYERS SQUIBB CO (US) 2010-05-12 — — EP disclosed
US-7687508-B2 Cyclic derivatives as modulators of chemokine receptor activity BRISTOL-MYERS SQUIBB COMPANY (US) 2010-03-30 — — US disclosed
US-20080027080-A1 CYCLIC DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY 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 (1 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-20080027080-A1 CYCLIC DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY CCR5, CXCR4, CCR7 ALDH1A1 2503/4885GAA 3481/4885TSHR 838/4885

“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.

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