SCHEMBL5409338

SCHEMBL5409338

COc1cccc(CCN(CCC(=O)O)C(=O)c2ccccc2-c2ccccc2C(=O)N(CCO)Cc2ccccc2)c1OC

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LPAR1 Q92633 11/20 0.50
CTSG P08311 1/20 0.41
CMA1 P23946 1/20 0.41
KMT2A Q03164 4/20 0.41
MEN1 O00255 3/20 0.41
MAPT P10636 2/20 0.40
LPAR2 Q9HBW0 1/20 0.40
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
LMNA P02545 1/20 0.40
MAPK1 P28482 1/20 0.40
POLB P06746 1/20 0.40
GAA P10253 1/20 0.40

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
SCHEMBL5401622 0.93 LPAR1 (0.53) LPAR1KMT2AMEN1MAPTLPAR2
SCHEMBL5402977 0.92 LPAR1 (0.47) LPAR1CTSGCMA1KMT2AMEN1
SCHEMBL5394210 0.92 LPAR1 (0.46) LPAR1CTSGCMA1KMT2AMEN1
SCHEMBL5398909 0.91 LPAR1 (0.51) LPAR1LPAR2
SCHEMBL5402546 0.90 KMT2A (0.47) LPAR1CTSGCMA1KMT2AMEN1
SCHEMBL5394257 0.85 HPGD (0.51) CTSGCMA1KMT2AMEN1MAPT
SCHEMBL5407075 0.85 LPAR1 (0.45) LPAR1MAPTALDH1A1
SCHEMBL5397226 0.85 LPAR1 (0.47) LPAR1KMT2AMEN1MAPTKDM4E
SCHEMBL5392507 0.85 TAAR1 (0.48) LPAR1CTSGCMA1KMT2AMEN1
SCHEMBL5397206 0.84 LPAR1 (0.50) LPAR1KMT2AMEN1LPAR2

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 LPAR1 17/4885CTSG 1299/4885CMA1 1439/4885

“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.