SCHEMBL5149804

SCHEMBL5149804

COc1cc([C@@H]2CCCN2C(=O)OC(C)(C)C)ccc1C(=O)O

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.48
PDE4B Q07343 5/20 0.47
MAPT P10636 2/20 0.47
CRHBP P24387 1/20 0.47
CRHR2 Q13324 1/20 0.47
CFB P00751 1/20 0.46
ROCK2 O75116 1/20 0.46
HTT P42858 1/20 0.46
PDE4A P27815 1/20 0.46
PDE4C Q08493 1/20 0.46
PDE4D Q08499 1/20 0.46
RIPK1 Q13546 1/20 0.44
ALDH1A1 P00352 1/20 0.43
GAA P10253 1/20 0.43

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
SCHEMBL5149814 1.00 SMN1; SMN2 (0.48) SMN1; SMN2PDE4BMAPTCRHBPCRHR2
SCHEMBL27589075 0.87 SMN1; SMN2 (0.54) SMN1; SMN2PDE4BMAPTCRHBPCRHR2
SCHEMBL27589074 0.87 SMN1; SMN2 (0.54) SMN1; SMN2PDE4BMAPTCRHBPCRHR2
SCHEMBL31327667 0.87 SMN1; SMN2 (0.49) SMN1; SMN2PDE4BMAPTCRHBPCRHR2
SCHEMBL4968813 0.86 RIPK1 (0.47) SMN1; SMN2MAPTCFBRIPK1ALDH1A1
SCHEMBL4968809 0.86 RIPK1 (0.47) SMN1; SMN2MAPTCFBRIPK1ALDH1A1
SCHEMBL27389358 0.84 RIPK1 (0.43) MAPTHTTRIPK1ALDH1A1
SCHEMBL25168074 0.84 MAPT (0.48) SMN1; SMN2PDE4BMAPTCRHBPCRHR2
SCHEMBL23703573 0.84 SMN1; SMN2 (0.47) SMN1; SMN2PDE4BMAPTCRHBPCRHR2
SCHEMBL25172254 0.84 SMN1; SMN2 (0.47) SMN1; SMN2PDE4BMAPTCRHBPCRHR2

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-20070054909-A1 VLA-4 inhibitor compounds DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2007-03-08 US disclosed
US-7179819-B2 VLA-4 inhibitor compounds DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2007-02-20 US disclosed
US-20040229858-A1 VLA-4 inhibitor compounds DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2004-11-18 US disclosed
US-20030078249-A1 VLA-4 inhibitor compounds DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2003-04-24 US disclosed
CN-1391473-A VLA-4 inhibitor compounds DAIICHI SEIYAKU CO (JP) 2003-01-15 CN 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 (3 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-20030078249-A1 VLA-4 inhibitor compounds VCAM1, ICAM1, ITGA4 SMN1; SMN2 4151/4885PDE4B 896/4885MAPT 3229/4885
US-20070054909-A1 VLA-4 inhibitor compounds VCAM1, ITGB4, ICAM1 SMN1; SMN2 4245/4885PDE4B 689/4885MAPT 3296/4885
US-20040229858-A1 VLA-4 inhibitor compounds VCAM1, ICAM1, ITGB4 SMN1; SMN2 4213/4885PDE4B 969/4885MAPT 3414/4885

“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.