SCHEMBL5395656

SCHEMBL5395656

COc1cc(CCN(CCC(=O)O)C(=O)c2ccccc2-c2ccccc2C(=O)N(C)c2ccccn2)cc(OC)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 2/20 0.39
FFAR4 Q5NUL3 2/20 0.39
LPAR1 Q92633 3/20 0.39
BLM P54132 1/20 0.38
PMP22 Q01453 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
RAF1 P04049 1/20 0.37
MAP2K1 Q02750 1/20 0.37
POLB P06746 1/20 0.36
TP53 P04637 1/20 0.36
TRPM8 Q7Z2W7 1/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC2 Q92769 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
HDAC9 Q9UKV0 1/20 0.36
CNR1 P21554 1/20 0.36
CNR2 P34972 1/20 0.36
RAB9A P51151 1/20 0.36
ALOX5AP P20292 1/20 0.36
ALDH1A1 P00352 2/20 0.35

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
SCHEMBL5407016 0.93 RAB9A (0.43) FFAR1LPAR1POLBHDAC1HDAC6
SCHEMBL5397151 0.92 FFAR1 (0.46) FFAR1FFAR4LPAR1BLMPMP22
SCHEMBL5403476 0.89 FFAR1 (0.41) FFAR1FFAR4POLBALOX5APALDH1A1
SCHEMBL5406332 0.88 RAF1 (0.46) RAF1MAP2K1TP53ALDH1A1MEN1
SCHEMBL5401812 0.87 LTB4R (0.43) FFAR1FFAR4POLBALDH1A1CYP2D6
SCHEMBL5397700 0.86 MAPK8 (0.43) FFAR1RAF1MAP2K1POLBRAB9A
SCHEMBL5399576 0.86 FFAR1 (0.40) FFAR1FFAR4HDAC1HDAC6ALOX5AP
SCHEMBL5401102 0.85 FFAR1 (0.47) FFAR1FFAR4BLMSMN1; SMN2POLB
SCHEMBL5392820 0.85 BLM (0.50) FFAR1FFAR4LPAR1BLMPMP22
SCHEMBL5414051 0.85 KMT2A (0.46) FFAR1FFAR4SMN1; SMN2TP53HDAC1

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 FFAR1 65/4885FFAR4 187/4885LPAR1 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.