SCHEMBL5402977

SCHEMBL5402977

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

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LPAR1 Q92633 8/20 0.47
KMT2A Q03164 4/20 0.42
MEN1 O00255 3/20 0.42
BCHE P06276 1/20 0.41
TP53 P04637 1/20 0.41
THRB P10828 1/20 0.41
CTSG P08311 1/20 0.41
CMA1 P23946 1/20 0.41
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
LMNA P02545 1/20 0.40
MAPT P10636 1/20 0.40
MAPK1 P28482 1/20 0.40
LPAR2 Q9HBW0 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
SCHEMBL5394210 0.93 LPAR1 (0.46) LPAR1KMT2AMEN1BCHECTSG
SCHEMBL5397206 0.93 LPAR1 (0.50) LPAR1KMT2AMEN1BCHETP53
SCHEMBL5409338 0.92 LPAR1 (0.50) LPAR1KMT2AMEN1CTSGCMA1
SCHEMBL5402546 0.91 KMT2A (0.47) LPAR1KMT2AMEN1BCHECTSG
SCHEMBL5398909 0.90 LPAR1 (0.51) LPAR1LPAR2
SCHEMBL5397135 0.85 LPAR1 (0.42) LPAR1KMT2AMEN1TP53THRB
SCHEMBL5403150 0.85 LPAR1 (0.49) LPAR1KMT2AMEN1BCHEMAPK1
SCHEMBL5399062 0.85 TSHR (0.47) LPAR1KMT2AMEN1TP53THRB
SCHEMBL5394257 0.85 HPGD (0.51) KMT2AMEN1TP53CTSGCMA1
SCHEMBL5401622 0.84 LPAR1 (0.53) LPAR1KMT2AMEN1MAPTLPAR2

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 17/4885KMT2A 2451/4885MEN1 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.