SCHEMBL6587449

SCHEMBL6587449

COc1cc(CC(=O)O)ccc1NC(=O)OC(C)(C)C

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 4/20 0.54
▸ ALDH1A1 P00352 2/20 0.54
▸ TSHR P16473 1/20 0.54
▸ NFKB1 P19838 1/20 0.54
▸ TDP1 Q9NUW8 1/20 0.54
▸ CA5A P35218 1/20 0.48
▸ NR1H4 Q96RI1 3/20 0.46
▸ MEN1 O00255 1/20 0.45
▸ KMT2A Q03164 1/20 0.45
▸ MTNR1A P48039 1/20 0.44
▸ MTNR1B P49286 1/20 0.44
▸ SELL P14151 1/20 0.44
▸ SELP P16109 1/20 0.44
▸ CYP3A4 P08684 1/20 0.43
▸ PTGS1 P23219 1/20 0.43
▸ AKR1C3 P42330 1/20 0.43
▸ AKR1C2 P52895 1/20 0.43
▸ NPSR1 Q6W5P4 1/20 0.43
▸ PTGDR2 Q9Y5Y4 1/20 0.42
▸ PKM P14618 1/20 0.42

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
SCHEMBL12044500 0.86 HTT (0.47) GAAALDH1A1MEN1KMT2AMTNR1A
SCHEMBL15752675 0.86 PYGL (0.48) GAAALDH1A1MEN1KMT2AMTNR1A
SCHEMBL29180821 0.86 MTNR1A (0.42) GAAALDH1A1MEN1KMT2AMTNR1A
SCHEMBL7968884 0.85 HTT (0.41) GAAALDH1A1MEN1KMT2AMTNR1A
SCHEMBL16064411 0.83 NR1H4 (0.44) GAANR1H4KMT2APTGDR2
SCHEMBL19966996 0.82 MAPT (0.44) GAAALDH1A1MEN1KMT2AMTNR1A
SCHEMBL20080089 0.82 PPARG (0.48) ALDH1A1TSHRTDP1MEN1KMT2A
SCHEMBL19930248 0.81 MAPT (0.43) GAAALDH1A1MEN1KMT2AMTNR1A
SCHEMBL15457550 0.80 EPHX1 (0.57) GAAALDH1A1MEN1KMT2APKM
SCHEMBL113522 0.80 CA12 (0.53) ALDH1A1TSHRMEN1KMT2APKM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1177186-B1 UREAS AND THEIR USE AS CELL ADHESION MODULATORS AVENTIS PHARMA LTD (GB) 2004-03-31 — — EP disclosed
US-6620832-B2 Inhibitor of alpha 4 beta 1 mediated cell adhesion; treatment for asthma and antiinflammatory AVENTIS PHARMA LTD. (GB) 2003-09-16 — — US disclosed
US-20020082255-A1 Substituted ureas AVENTIS PHARMA LIMITED (GB) 2002-06-27 — — US disclosed
EP-1177186-A1 UREAS AND THEIR USE AS CELL ADHESION MODULATORS Aventis Pharma Limited (GB) 2002-02-06 — — EP disclosed
WO-2000068223-A1 UREAS AND THEIR USE AS CELL ADHESION MODULATORS AVENTIS PHARMA LIMITED (GB) 2000-11-16 — — WO 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-20020082255-A1 Substituted ureas VCAM1, ITGA1, ITGB1 GAA 4249/4885ALDH1A1 139/4885TSHR 957/4885

“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.

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