SCHEMBL5409140

SCHEMBL5409140

O=C(O)CCN(Cc1ccc(F)cc1)C(=O)c1ccccc1-c1ccccc1C(=O)NCc1cccs1

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HPGD P15428 7/20 0.51
ALDH1A1 P00352 3/20 0.48
HTT P42858 2/20 0.48
MAPT P10636 2/20 0.48
LMNA P02545 2/20 0.45
HDAC1 Q13547 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43
KDM4E B2RXH2 3/20 0.43
CYP1A2 P05177 1/20 0.42
CYP2C19 P33261 1/20 0.42
KMT2A Q03164 1/20 0.42
ATM Q13315 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
POLB P06746 3/20 0.41
TRPM8 Q7Z2W7 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
TP53 P04637 1/20 0.41
HSD17B10 Q99714 1/20 0.41
CXCR3 P49682 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
SCHEMBL5402966 0.93 HPGD (0.50) HPGDALDH1A1HTTMAPTLMNA
SCHEMBL5392399 0.90 HPGD (0.49) HPGDALDH1A1HTTMAPTLMNA
SCHEMBL5399600 0.88 TSHR (0.53) HPGDALDH1A1MAPTLMNAHDAC1
SCHEMBL5402865 0.88 KMT2A (0.55) HPGDALDH1A1HTTMAPTLMNA
SCHEMBL5399681 0.87 KMT2A (0.54) HPGDALDH1A1HTTMAPTLMNA
SCHEMBL5398638 0.87 KMT2A (0.54) HPGDALDH1A1HTTMAPTLMNA
SCHEMBL5409198 0.86 HPGD (0.51) HPGDALDH1A1HTTMAPTLMNA
SCHEMBL5411838 0.84 KMT2A (0.50) HPGDALDH1A1HTTLMNAKDM4E
SCHEMBL5407122 0.84 HPGD (0.49) HPGDALDH1A1HTTMAPTLMNA
SCHEMBL5402319 0.84 KMT2A (0.48) ALDH1A1HTTMAPTLMNAHDAC1

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 HPGD 1078/4885ALDH1A1 1256/4885HTT 3791/4885

“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.