SCHEMBL5397305

SCHEMBL5397305

CCN(Cc1ccccc1)C(=O)c1ccccc1-c1ccccc1C(=O)N(CCC(=O)O)Cc1ccc(F)cc1

nearest known ligand 0.54

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.54
MAPK1 P28482 1/20 0.54
PPARG P37231 1/20 0.49
HDAC1 Q13547 1/20 0.45
HDAC6 Q9UBN7 1/20 0.45
LPAR1 Q92633 4/20 0.45
KCNA5 P22460 1/20 0.45
LTB4R2 Q9NPC1 3/20 0.45
LMNA P02545 1/20 0.45
TSPO P30536 1/20 0.44
LPAR5 Q9H1C0 1/20 0.43
NPC1 O15118 1/20 0.43

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
SCHEMBL5403929 0.93 TSHR (0.62) TSHRMAPK1PPARGHDAC1HDAC6
SCHEMBL5402850 0.92 MEN1 (0.46) TSHRMAPK1LPAR1LTB4R2LMNA
SCHEMBL5399607 0.91 LTB4R2 (0.56) HDAC1HDAC6LPAR1LTB4R2LMNA
SCHEMBL5398893 0.90 KMT2A (0.56) LPAR1LMNA
SCHEMBL5397925 0.89 GAA (0.50) TSHRHDAC1HDAC6LPAR1LTB4R2
SCHEMBL5402854 0.86 TDP1 (0.59) TSHRMAPK1PPARGHDAC1HDAC6
SCHEMBL5392691 0.86 TSHR (0.56) TSHRMAPK1PPARGHDAC1HDAC6
SCHEMBL5399681 0.85 KMT2A (0.54) HDAC1HDAC6LMNA
SCHEMBL5398638 0.85 KMT2A (0.54) HDAC1HDAC6LMNA
SCHEMBL5405911 0.85 TSHR (0.55) TSHRMAPK1PPARGLPAR1KCNA5

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.