SCHEMBL5401485

SCHEMBL5401485

COc1cccc(CCN(CCC(=O)O)C(=O)c2ccccc2-c2ccccc2C(=O)N(CCO)Cc2ccccc2)c1

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LPAR1 Q92633 8/20 0.53
LPAR5 Q9H1C0 2/20 0.50
TSHR P16473 2/20 0.47
RAB9A P51151 1/20 0.46
POLB P06746 1/20 0.46
GAA P10253 1/20 0.46
MAPT P10636 1/20 0.46
KMT2A Q03164 3/20 0.45
MEN1 O00255 2/20 0.45
ROCK2 O75116 2/20 0.44
TDP1 Q9NUW8 2/20 0.44
MLNR O43193 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C9 P11712 1/20 0.44
ROCK1 Q13464 1/20 0.44
CDC42BPA Q5VT25 1/20 0.44

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
SCHEMBL5418271 0.93 LPAR1 (0.53) LPAR1LPAR5TSHRPOLBGAA
SCHEMBL5399052 0.91 LPAR1 (0.50) LPAR1LPAR5TSHRRAB9AKMT2A
SCHEMBL5394093 0.91 TP53 (0.51) LPAR1LPAR5TSHRRAB9AKMT2A
SCHEMBL5411801 0.91 LPAR1 (0.54) LPAR1LPAR5TSHRRAB9A
SCHEMBL5395527 0.91 LPAR1 (0.43) LPAR1LPAR5TSHRKMT2AMEN1
SCHEMBL5418587 0.90 LPAR1 (0.58) LPAR1LPAR5TSHRPOLBGAA
SCHEMBL5402272 0.89 MEN1 (0.49) LPAR1LPAR5TSHRRAB9APOLB
SCHEMBL5409482 0.88 LPAR1 (0.54) LPAR1KMT2AMEN1
SCHEMBL5397226 0.87 LPAR1 (0.47) LPAR1LPAR5TSHRPOLBGAA
SCHEMBL5406852 0.87 TDP1 (0.59) LPAR1LPAR5TSHRPOLBGAA

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 17/4885LPAR5 125/4885TSHR 3382/4885

“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.