SCHEMBL5402495

SCHEMBL5402495

CCOc1ccc(CCN(CCC(=O)O)C(=O)c2ccccc2-c2ccccc2C(=O)N(C)c2cccs2)cc1OC

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.44
APP P05067 1/20 0.42
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
TDP1 Q9NUW8 1/20 0.41
RAF1 P04049 2/20 0.40
MAP2K1 Q02750 2/20 0.40
LTB4R Q15722 2/20 0.40
LTB4R2 Q9NPC1 2/20 0.40
MTNR1A P48039 1/20 0.40
MTNR1B P49286 1/20 0.40
KDM4E B2RXH2 3/20 0.38
F2 P00734 1/20 0.38
F10 P00742 1/20 0.38
F7 P08709 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
BLM P54132 1/20 0.38

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
SCHEMBL5392301 0.97 MEN1 (0.41) POLBAPPMEN1KMT2ATDP1
SCHEMBL5395675 0.94 KMT2A (0.43) MEN1KMT2ATDP1RAF1MAP2K1
SCHEMBL5406842 0.87 FFAR1 (0.43) POLBMEN1KMT2ATDP1LTB4R
SCHEMBL5399151 0.86 LTB4R (0.42) MEN1KMT2ATDP1LTB4RLTB4R2
SCHEMBL5402498 0.85 ALDH1A1 (0.48) POLBAPPMEN1KMT2ATDP1
SCHEMBL5400818 0.85 MEN1 (0.39) POLBMEN1KMT2ATDP1ALDH1A1
SCHEMBL5418561 0.85 TDP1 (0.47) MEN1KMT2ATDP1LTB4RALDH1A1
SCHEMBL5398708 0.85 POLB (0.47) POLBAPPMEN1KMT2ARAF1
SCHEMBL5406787 0.84 POLB (0.54) POLBAPPMEN1KMT2ARAF1
SCHEMBL5402518 0.84 MEN1 (0.47) MEN1KMT2ATDP1MTNR1AMTNR1B

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 POLB 527/4885APP 12/4885MEN1 891/4885

“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.