SCHEMBL5398199

SCHEMBL5398199

COc1cc(CCN(CCC(=O)O)C(=O)c2ccccc2-c2ccccc2C(=O)N(C)c2cccs2)cc(OC)c1

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
TDP1 Q9NUW8 2/20 0.44
LPAR1 Q92633 5/20 0.39
TSHR P16473 3/20 0.38
RAB9A P51151 1/20 0.36
L3MBTL1 Q9Y468 2/20 0.34
ALDH1A1 P00352 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
MAPK8 P45983 1/20 0.34
LPAR5 Q9H1C0 1/20 0.34
CNR1 P21554 1/20 0.34
CNR2 P34972 1/20 0.34
LPAR3 Q9UBY5 1/20 0.34
LTA4H P09960 1/20 0.34

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
SCHEMBL5402518 0.93 MEN1 (0.47) MEN1KMT2ATDP1LPAR1TSHR
SCHEMBL5418561 0.92 TDP1 (0.47) MEN1KMT2ATDP1LPAR1TSHR
SCHEMBL5407120 0.89 KMT2A (0.41) MEN1KMT2ATDP1RAB9AALDH1A1
SCHEMBL5395675 0.88 KMT2A (0.43) MEN1KMT2ATDP1LPAR1L3MBTL1
SCHEMBL5409170 0.86 MEN1 (0.46) MEN1KMT2ATDP1TSHRL3MBTL1
SCHEMBL5399151 0.86 LTB4R (0.42) MEN1KMT2ATDP1
SCHEMBL5399597 0.85 ALDH1A1 (0.49) MEN1KMT2ATDP1LPAR1TSHR
SCHEMBL5399037 0.85 TRPM8 (0.39) MEN1KMT2ATDP1LPAR1L3MBTL1
SCHEMBL5406842 0.85 FFAR1 (0.43) MEN1KMT2ATDP1RAB9ALTA4H
SCHEMBL5399122 0.84 MEN1 (0.39) MEN1KMT2ATDP1LPAR1RAB9A

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 MEN1 891/4885KMT2A 2451/4885TDP1 1939/4885

“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.