SCHEMBL5401067

SCHEMBL5401067

CCOc1cc(CCN(CCC(=O)O)C(=O)c2ccccc2-c2ccccc2C(=O)NCc2ccc(F)cc2)ccc1OC

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.47
HPGD P15428 3/20 0.47
ALDH1A1 P00352 3/20 0.47
MAPK1 P28482 1/20 0.47
HTT P42858 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
PPARA Q07869 3/20 0.45
PPARG P37231 2/20 0.45
KMT2A Q03164 3/20 0.45
MEN1 O00255 2/20 0.45
MAPT P10636 5/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
TP53 P04637 3/20 0.43
RAB9A P51151 2/20 0.43
GLA P06280 1/20 0.43
KDM4E B2RXH2 1/20 0.43
NPC1 O15118 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
PLA2G1B P04054 1/20 0.42
ATG4B Q9Y4P1 1/20 0.42

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
SCHEMBL4928591 0.97 LMNA (0.47) LMNAHPGDALDH1A1MAPK1HTT
SCHEMBL5403132 0.95 LMNA (0.48) LMNAHPGDALDH1A1MAPK1HTT
SCHEMBL5409385 0.94 MEN1 (0.46) LMNAHPGDALDH1A1MAPK1HTT
SCHEMBL5406216 0.94 PPARA (0.49) LMNAHPGDALDH1A1MAPK1HTT
SCHEMBL5392923 0.93 MEN1 (0.55) LMNAHPGDALDH1A1MAPK1HTT
SCHEMBL5397415 0.93 PPARA (0.46) LMNAHPGDALDH1A1MAPK1HTT
SCHEMBL5392437 0.93 LMNA (0.46) LMNAHPGDSMN1; SMN2PPARAPPARG
SCHEMBL5409172 0.92 MEN1 (0.44) LMNAHPGDALDH1A1MAPK1HTT
SCHEMBL5436037 0.92 PTGDR2 (0.46) LMNAHPGDALDH1A1HTTPPARA
SCHEMBL5403428 0.92 APP (0.49) LMNAHPGDALDH1A1MAPK1HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7285680-B2 β-alanine derivatives and the use thereof ONO PHARMACEUTICAL CO., LTD. (JP) 2007-10-23 US disclosed
US-20050256160-A1 Beta-alanine derivatives and the use thereof ONO PHARMACEUTICAL CO., LTD. (JP) 2005-11-17 US disclosed
EP-1533294-A1 BETA-ALANINE DERIVATIVE AND USE THEREOF ONO PHARMACEUTICAL CO., LTD. (JP) 2005-05-25 EP 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-20050256160-A1 Beta-alanine derivatives and the use thereof TGFB1, PML, APOB LMNA 308/4885HPGD 1078/4885ALDH1A1 1256/4885

“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.