SCHEMBL6428792

SCHEMBL6428792

COC(=O)CC[C@@H](CO)NC(=O)OCc1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CTRB1 P17538 2/20 0.54
SYK P43405 1/20 0.49
ATM Q13315 2/20 0.48
ALDH1A1 P00352 2/20 0.47
TRPM8 Q7Z2W7 1/20 0.47
ALOX15 P16050 1/20 0.47
KYNU Q16719 1/20 0.46
CTSK P43235 2/20 0.46
CYP2C9 P11712 2/20 0.46
CYP2C19 P33261 2/20 0.46
CASP1 P29466 1/20 0.46
CYP1A2 P05177 1/20 0.46
POLB P06746 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2D6 P10635 1/20 0.46
TSHR P16473 1/20 0.46
CTSL P07711 1/20 0.45
CTSS P25774 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
SCHEMBL6428794 1.00 CTRB1 (0.54) CTRB1SYKATMALDH1A1TRPM8
SCHEMBL25851914 0.91 CTRB1 (0.51) CTRB1SYKATMALDH1A1TRPM8
SCHEMBL116393 0.88 CTRB1 (0.56) CTRB1SYKATMALDH1A1ALOX15
SCHEMBL1605999 0.88 CTRB1 (0.58) CTRB1SYKATMCTSKCASP1
SCHEMBL1606000 0.88 CTRB1 (0.58) CTRB1SYKATMCTSKCASP1
SCHEMBL5198016 0.88 CTRB1 (0.58) CTRB1SYKATMCTSKCASP1
SCHEMBL143120 0.88 SYK (0.60) CTRB1SYKATMCTSKCASP1
SCHEMBL1556449 0.88 SYK (0.60) CTRB1SYKATMCTSKCASP1
SCHEMBL555191 0.86 CTRB1 (0.57) CTRB1SYKATMALDH1A1TRPM8
SCHEMBL79250 0.86 CTRB1 (0.57) CTRB1SYKATMALDH1A1TRPM8

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6924307-B2 Aminobutyric acid derivatives and pharmaceutical composition containing the same as active ingredient ONO PHARMACEUTICAL CO., LTD. (JP) 2005-08-02 US disclosed
US-20040002480-A1 Aminobutyric acid derivatives and pharmaceutical composition containing the same as active ingredient TAKAHASHI KANJI (JP) 2004-01-01 US disclosed
US-6569899-B1 Such as 5-ethoxymethoxy-4(S)-(N-(4-iodophenylcarbonyl)amino) pentanoic acid methyl ester for inhibiting matrix metalloproteinase; for treatment of rheumatoid diseases, arthrosteitis, osteoarthritis, and osteoporosis ONO PHARMACEUTICALS CO., LTD. (JP) 2003-05-27 US disclosed
EP-1167346-A1 4-AMINOBUTANOIC ACID DERIVATIVES AND DRUGS CONTAINING THESE DERIVATIVES AS THE ACTIVE INGREDIENT ONO PHARMACEUTICAL CO., LTD. (JP) 2002-01-02 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-20040002480-A1 Aminobutyric acid derivatives and pharmaceutical composition containing the same as active ingredient GABBR1, GABRB1, GABBR2 CTRB1 776/4885SYK 4039/4885ATM 2524/4885

“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.