SCHEMBL5409396

SCHEMBL5409396

COc1cccc(CCN(CCC(=O)O)C(=O)c2ccccc2-c2ccccc2C(=O)N(C)c2ccco2)c1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.43
TSHR P16473 1/20 0.41
LPAR1 Q92633 2/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
TDP1 Q9NUW8 2/20 0.40
HDAC1 Q13547 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
AOC3 Q16853 1/20 0.39
LPAR5 Q9H1C0 1/20 0.39
MLNR O43193 1/20 0.38
MTNR1A P48039 1/20 0.38
MTNR1B P49286 1/20 0.38
PTGDR2 Q9Y5Y4 1/20 0.38
NPC1 O15118 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
POLB P06746 1/20 0.37
BMP1 P13497 1/20 0.37

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
SCHEMBL5399042 0.93 LPAR1 (0.39) RAB9ATSHRLPAR1MEN1KMT2A
SCHEMBL5414355 0.91 LTB4R (0.42) PTGDR2SMN1; SMN2
SCHEMBL5402208 0.90 SMN1; SMN2 (0.43) TSHRLPAR1MEN1KMT2ATDP1
SCHEMBL5403777 0.88 ALDH1A1 (0.45) RAB9ALPAR1MEN1KMT2ANPC1
SCHEMBL5408657 0.87 RAB9A (0.42) RAB9ATSHRLPAR1MEN1KMT2A
SCHEMBL5392883 0.86 HSD17B10 (0.40) RAB9ATSHRMEN1KMT2ATDP1
SCHEMBL5417110 0.84 APP (0.42) MEN1KMT2ASMN1; SMN2L3MBTL1POLB
SCHEMBL5402772 0.84 ALDH1A1 (0.41) RAB9AMEN1KMT2ANPC1SMN1; SMN2
SCHEMBL5409399 0.84 RAB9A (0.54) RAB9ATSHRMEN1KMT2ATDP1
SCHEMBL5402272 0.83 MEN1 (0.49) RAB9ATSHRLPAR1MEN1KMT2A

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 RAB9A 3132/4885TSHR 3382/4885LPAR1 17/4885

“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.