SCHEMBL4248552

SCHEMBL4248552

COc1ccc(C(O)C2CCN(C(=O)OC(C)(C)C)CC2)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.61
MMP1 P03956 3/20 0.56
MMP3 P08254 3/20 0.56
MMP7 P09237 3/20 0.56
MMP9 P14780 3/20 0.56
MMP8 P22894 3/20 0.56
MMP13 P45452 3/20 0.56
MMP2 P08253 2/20 0.56
STS P08842 2/20 0.56
GPR119 Q8TDV5 2/20 0.55
EED O75530 1/20 0.53
RBBP4 Q09028 1/20 0.53
SUZ12 Q15022 1/20 0.53
EZH2 Q15910 1/20 0.53
AEBP2 Q6ZN18 1/20 0.53
HTT P42858 2/20 0.52
MAPT P10636 2/20 0.51
NPC1 O15118 1/20 0.51
MAPK1 P28482 1/20 0.51
RAB9A P51151 1/20 0.51

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
SCHEMBL9948044 0.87 ALDH1A1 (0.51) ALDH1A1MMP1MMP3MMP7MMP9
SCHEMBL4236846 0.87 GPR119 (0.57) ALDH1A1MMP1MMP3MMP7MMP9
SCHEMBL4239889 0.86 ALDH1A1 (0.52) ALDH1A1MMP13GPR119EEDRBBP4
SCHEMBL4393991 0.86 MMP13 (0.55) ALDH1A1MMP13GPR119EEDRBBP4
SCHEMBL4240647 0.86 ALDH1A1 (0.52) ALDH1A1MMP13GPR119EEDRBBP4
SCHEMBL2520399 0.86 ALDH1A1 (0.55) ALDH1A1STSGPR119EEDRBBP4
SCHEMBL4244525 0.86 ALDH1A1 (0.52) ALDH1A1MMP13GPR119EEDRBBP4
SCHEMBL22558670 0.86 GPR119 (0.59) ALDH1A1MMP1MMP13STSGPR119
SCHEMBL1405370 0.86 GPR119 (0.59) ALDH1A1MMP1MMP13STSGPR119
SCHEMBL4213089 0.85 ALDH1A1 (0.59) ALDH1A1MMP1MMP3MMP7MMP9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7491735-B2 Chemokine receptor binding compounds GENZYME CORPORATION (US) 2009-02-17 US disclosed
EP-1708703-A4 CHEMOKINE RECEPTOR BINDING COMPOUNDS ANORMED INC (CA) 2008-04-09 EP disclosed
EP-1708703-A2 CHEMOKINE RECEPTOR BINDING COMPOUNDS ANORMED INC. (CA) 2006-10-11 EP disclosed
US-20050277670-A1 Chemokine receptor binding compounds ANORMED INC. 2005-12-15 US disclosed
WO-2005059107-A2 CHEMOKINE RECEPTOR BINDING COMPOUNDS ANORMED INC. (CA) 2005-06-30 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 (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-20050277670-A1 Chemokine receptor binding compounds CCR5, CXCR3, CCL5 ALDH1A1 3358/4885MMP1 2784/4885MMP3 1203/4885

“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.