SCHEMBL5406845

SCHEMBL5406845

CCOc1ccc(CCN(CCC(=O)O)C(=O)c2ccccc2-c2ccccc2C(=O)NCc2cccs2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.52
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
LTA4H P09960 1/20 0.43
MAPT P10636 2/20 0.43
TP53 P04637 2/20 0.43
POLB P06746 2/20 0.42
TRPM8 Q7Z2W7 1/20 0.42
HPGD P15428 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
TSHR P16473 1/20 0.41
MAPK1 P28482 1/20 0.41
ALDH1A1 P00352 2/20 0.41
LMNA P02545 2/20 0.41
NPC1 O15118 1/20 0.41
FFAR1 O14842 1/20 0.41
FFAR4 Q5NUL3 1/20 0.41
KDM4E B2RXH2 1/20 0.41
HTT P42858 1/20 0.41

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
SCHEMBL5418566 0.91 TSHR (0.52) RAB9AMEN1KMT2ATDP1MAPT
SCHEMBL5399160 0.91 RAB9A (0.46) RAB9AMEN1KMT2ATDP1MAPT
SCHEMBL5407122 0.89 HPGD (0.49) RAB9AMEN1KMT2ATDP1MAPT
SCHEMBL5399040 0.89 TRPM8 (0.45) RAB9AMAPTTP53TRPM8HPGD
SCHEMBL5392184 0.89 MEN1 (0.47) RAB9AMEN1KMT2AMAPTTP53
SCHEMBL5402498 0.87 ALDH1A1 (0.48) MEN1KMT2ATDP1MAPTTP53
SCHEMBL5392305 0.87 ALDH1A1 (0.48) MEN1KMT2ATDP1MAPTTP53
SCHEMBL5400821 0.86 RAB9A (0.43) RAB9AMEN1KMT2ATDP1MAPT
SCHEMBL4933196 0.86 TP53 (0.48) RAB9AMEN1KMT2AMAPTTP53
SCHEMBL5407025 0.86 FFAR1 (0.47) RAB9AMEN1KMT2ATDP1LTA4H

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 RAB9A 3132/4885MEN1 891/4885KMT2A 2451/4885

“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.