SCHEMBL5406045

SCHEMBL5406045

COc1cccc(CCN(CCC(=O)O)C(=O)c2ccccc2-c2ccccc2C(=O)NCCc2ccccc2)c1

nearest known ligand 0.55

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.55
THRA P10827 1/20 0.48
THRB P10828 1/20 0.48
LPAR1 Q92633 2/20 0.46
SLC6A5 Q9Y345 1/20 0.46
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
CA7 P43166 1/20 0.46
CA9 Q16790 1/20 0.46
CA14 Q9ULX7 1/20 0.46
NPC1 O15118 1/20 0.45
MTNR1A P48039 1/20 0.45
MTNR1B P49286 1/20 0.45
LPAR5 Q9H1C0 1/20 0.45
LMNA P02545 1/20 0.45

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
SCHEMBL5408490 0.93 RAB9A (0.48) RAB9ALPAR1SLC6A5NPC1LMNA
SCHEMBL5394900 0.91 RAB9A (0.64) RAB9ANPC1MTNR1AMTNR1B
SCHEMBL5398996 0.91 RAB9A (0.67) RAB9ALMNA
SCHEMBL5399552 0.91 RAB9A (0.67) RAB9ALPAR1LMNA
SCHEMBL5399549 0.91 KMT2A (0.53) RAB9ALPAR1SLC6A5NPC1LPAR5
SCHEMBL5409795 0.91 MAPT (0.47) RAB9ACA1CA2CA7CA9
SCHEMBL5406178 0.89 RAB9A (0.64) RAB9ALPAR1SLC6A5NPC1LPAR5
SCHEMBL5406651 0.89 RAB9A (0.53) RAB9ALPAR1MTNR1AMTNR1BLPAR5
SCHEMBL5397871 0.89 RAB9A (0.61) RAB9ASLC6A5NPC1
SCHEMBL5399241 0.88 NPC1 (0.51) RAB9ANPC1LMNA

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 3132/4885THRA 3102/4885THRB 2049/4885

“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.