SCHEMBL5409406

SCHEMBL5409406

CCOc1cccc(CCN(CCC(=O)O)C(=O)c2ccccc2-c2ccccc2C(=O)N(C)Cc2ccccc2)c1

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LTB4R Q15722 6/20 0.48
LTB4R2 Q9NPC1 6/20 0.48
KMT2A Q03164 4/20 0.47
MEN1 O00255 2/20 0.47
ALDH1A1 P00352 1/20 0.47
RAB9A P51151 2/20 0.41
NPC1 O15118 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
HPGD P15428 1/20 0.41
HSP90AA1 P07900 2/20 0.41
CYP2D6 P10635 1/20 0.40
TSHR P16473 1/20 0.40
TACR1 P25103 1/20 0.40
PPARG P37231 1/20 0.40
PPARA Q07869 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
SCHEMBL5402519 0.91 PPARG (0.47) LTB4RLTB4R2KMT2AMEN1NPC1
SCHEMBL5414873 0.91 LTB4R (0.45) LTB4RLTB4R2KMT2AMEN1NPC1
SCHEMBL5402294 0.90 LTB4R (0.49) LTB4RLTB4R2KMT2AMEN1ALDH1A1
SCHEMBL5402272 0.90 MEN1 (0.49) KMT2AMEN1ALDH1A1RAB9ATSHR
SCHEMBL5395527 0.90 LPAR1 (0.43) LTB4RLTB4R2KMT2AMEN1ALDH1A1
SCHEMBL5416923 0.89 LTB4R (0.42) LTB4RLTB4R2KMT2AMEN1ALDH1A1
SCHEMBL5404088 0.89 LTB4R2 (0.47) LTB4RLTB4R2CYP2D6PPARGPPARA
SCHEMBL5401008 0.86 RAB9A (0.52) LTB4RLTB4R2KMT2AALDH1A1RAB9A
SCHEMBL6232981 0.86 KMT2A (0.60) KMT2AMEN1ALDH1A1RAB9ANPC1
SCHEMBL5403971 0.85 POLB (0.49) LTB4RLTB4R2KMT2AMEN1ALDH1A1

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 LTB4R 321/4885LTB4R2 329/4885KMT2A 2451/4885

“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.