SCHEMBL5146905

SCHEMBL5146905

CC(C)(C)N(C(=O)OCc1ccccc1)[C@@H](CC(=O)O)C(=O)O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.51
SMN1; SMN2 Q16637 1/20 0.43
ABCB1 P08183 2/20 0.42
LMNA P02545 3/20 0.40
FOLH1 Q04609 1/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
MAPK1 P28482 1/20 0.40
SLC6A2 P23975 1/20 0.40
SLC6A3 Q01959 1/20 0.40
KMT2A Q03164 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
FFAR1 O14842 1/20 0.39
SLC15A1 P46059 1/20 0.39
ITGB3 P05106 1/20 0.39
ITGA2B P08514 1/20 0.39
MAPT P10636 1/20 0.39
HPGD P15428 1/20 0.39
CPA1 P15085 2/20 0.39
CPB1 P15086 1/20 0.39
CPA3 P15088 1/20 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
SCHEMBL31422729 0.88 ALDH1A1 (0.53) ALDH1A1SMN1; SMN2ABCB1LMNAFOLH1
SCHEMBL9219335 0.88 ALDH1A1 (0.53) ALDH1A1SMN1; SMN2ABCB1LMNAL3MBTL1
SCHEMBL5421388 0.88 ALDH1A1 (0.53) ALDH1A1SMN1; SMN2ABCB1LMNAFOLH1
SCHEMBL9697569 0.87 FOLH1 (0.51) ALDH1A1SMN1; SMN2FOLH1CPA3
SCHEMBL2957718 0.86 ALDH1A1 (0.51) ALDH1A1SMN1; SMN2ABCB1LMNAFOLH1
SCHEMBL4832572 0.86 ALDH1A1 (0.48) ALDH1A1SMN1; SMN2ABCB1LMNAITGB3
SCHEMBL4832582 0.86 ALDH1A1 (0.48) ALDH1A1SMN1; SMN2ABCB1LMNAITGB3
SCHEMBL31087109 0.84 ALDH1A1 (0.49) ALDH1A1SMN1; SMN2ABCB1LMNAFOLH1
SCHEMBL4837028 0.83 FOLH1 (0.50) ALDH1A1SMN1; SMN2FOLH1MAPT
SCHEMBL7473612 0.82 ALDH1A1 (0.51) ALDH1A1SMN1; SMN2ABCB1LMNAL3MBTL1

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
EP-1423136-A4 POLYPEPTIDE CONJUGATES WITH EXTENDED CIRCULATING HALF-LIVES EPIX PHARM INC (US) 2007-07-25 EP disclosed
US-7186797-B2 Polypeptide conjugates with extended circulating half-lives EPIX PHARMACEUTICALS, INC. (US) 2007-03-06 US disclosed
US-20040254119-A1 Polypeptide conjugates with extended circulating half-lives EPIX PHARMACEUTICALS, INC. 2004-12-16 US disclosed
EP-1423136-A1 POLYPEPTIDE CONJUGATES WITH EXTENDED CIRCULATING HALF-LIVES Epix Medical, Inc. (US) 2004-06-02 EP disclosed
WO-2003013573-A1 POLYPEPTIDE CONJUGATES WITH EXTENDED CIRCULATING HALF-LIVES EPIX MEDICAL, INC. (US) 2003-02-20 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-20040254119-A1 Polypeptide conjugates with extended circulating half-lives ALB, TTR, SHBG ALDH1A1 2791/4885SMN1; SMN2 1406/4885ABCB1 1309/4885

“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.