SCHEMBL4029006

SCHEMBL4029006

COC(=O)CCCC(=O)N[C@H](CC(=O)OC)c1ccc(N)cc1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.41
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
POLB P06746 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.39
PTPRC P08575 1/20 0.38
ITGB3 P05106 2/20 0.38
ITGA2B P08514 2/20 0.38
MAPT P10636 1/20 0.37
RAB9A P51151 1/20 0.37
F2 P00734 1/20 0.36
F10 P00742 1/20 0.36
PRSS1 P07477 1/20 0.36
TNF P01375 1/20 0.36
TACR3 P29371 1/20 0.36
CNR2 P34972 1/20 0.36
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
HTT P42858 1/20 0.36

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
SCHEMBL4029008 1.00 TSHR (0.41) TSHRMEN1KMT2APOLBL3MBTL1
SCHEMBL5700994 0.92 TSHR (0.41) TSHRMEN1KMT2APOLBITGB3
SCHEMBL5700998 0.92 TSHR (0.41) TSHRMEN1KMT2APOLBITGB3
SCHEMBL5700869 0.81 KMT2A (0.44) MEN1KMT2APOLBL3MBTL1MAPT
SCHEMBL5700864 0.81 KMT2A (0.44) MEN1KMT2APOLBL3MBTL1MAPT
SCHEMBL5701087 0.79 POLB (0.42) TSHRMEN1KMT2APOLBMAPT
SCHEMBL7388965 0.79 POLB (0.42) TSHRMEN1KMT2APOLBMAPT
SCHEMBL4036734 0.78 L3MBTL1 (0.41) L3MBTL1PTPRCITGB3ITGA2B
SCHEMBL4030166 0.78 L3MBTL1 (0.41) L3MBTL1PTPRCITGB3ITGA2B
SCHEMBL5700931 0.78 POLB (0.43) TSHRMEN1KMT2APOLBMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1177181-B1 SUBSTITUTED BICYCLIC COMPOUNDS AVENTIS PHARMA LTD (GB) 2009-01-28 EP disclosed
EP-1027328-B1 SUBSTITUTED ANILIDES AVENTIS PHARMA LTD (GB) 2006-08-23 EP disclosed
US-6562851-B2 Antiinflammatory and antiasthmatic agents; inhibitors of alpha4 beta1 mediated cell adhesion AVENTIS PHARMA LIMITED (GB) 2003-05-13 US disclosed
US-6479519-B1 INHIBITORS OF CELL ADHESION; TREATMENT OF ASTHMA OR INFLAMMATORY BOWEL DISEASE AVENTIS PHARMA LIMITED (GB) 2002-11-12 US disclosed
US-20020156111-A1 Substituted bicyclic compounds AVENTIS PHARMA LIMITED (GB) 2002-10-24 US disclosed
EP-1177181-A1 SUBSTITUTED BICYCLIC COMPOUNDS Aventis Pharma Limited (GB) 2002-02-06 EP disclosed
WO-2000068213-A1 SUBSTITUTED BICYCLIC COMPOUNDS AVENTIS PHARMA LIMITED (GB) 2000-11-16 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-20020156111-A1 Substituted bicyclic compounds VCAM1, ITGA1, ITGA5 TSHR 920/4885MEN1 4443/4885KMT2A 3109/4885

“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.