SCHEMBL5405324

SCHEMBL5405324

CCN(Cc1ccccc1)C(=O)c1ccccc1-c1ccccc1C(=O)N(CCC(=O)O)CCc1ccccc1C

nearest known ligand 0.59

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.59
MAPK1 P28482 1/20 0.59
PPARG P37231 1/20 0.46
KCNA5 P22460 1/20 0.44
KMT2A Q03164 4/20 0.41
LMNA P02545 1/20 0.41
NPC1 O15118 1/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
MBTPS1 Q14703 1/20 0.39
MLNR O43193 1/20 0.39
CYP3A4 P08684 1/20 0.39
LTB4R2 Q9NPC1 1/20 0.39
MEN1 O00255 2/20 0.39
ALDH1A1 P00352 1/20 0.39

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
SCHEMBL5411854 0.92 TSHR (0.48) TSHRMAPK1KMT2AMEN1ALDH1A1
SCHEMBL5401137 0.91 LTB4R2 (0.49) TSHRMAPK1KMT2AHDAC1HDAC6
SCHEMBL5409458 0.91 TSHR (0.46) TSHRMAPK1KMT2ANPC1MEN1
SCHEMBL5405330 0.89 KMT2A (0.55) TSHRMAPK1KMT2AMEN1ALDH1A1
SCHEMBL5392691 0.89 TSHR (0.56) TSHRMAPK1PPARGKCNA5KMT2A
SCHEMBL5403150 0.87 LPAR1 (0.49) TSHRMAPK1PPARGKMT2AMBTPS1
SCHEMBL5403929 0.86 TSHR (0.62) TSHRMAPK1PPARGKCNA5KMT2A
SCHEMBL5405670 0.86 TSHR (0.54) TSHRMAPK1PPARGKCNA5KMT2A
SCHEMBL5402410 0.86 TSHR (0.46) TSHRMAPK1PPARGKCNA5KMT2A
SCHEMBL5405911 0.85 TSHR (0.55) TSHRMAPK1PPARGKCNA5LMNA

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 TSHR 3382/4885MAPK1 1369/4885PPARG 467/4885

“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.