SCHEMBL6399801

SCHEMBL6399801

COC(=O)[C@@H]1CN1C(=O)OC(C)(C)C.COC(=O)[C@@H]1CN1C(c1ccccc1)(c1ccccc1)c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 3/20 0.46
NR1H3 Q13133 3/20 0.46
PTPN1 P18031 1/20 0.41
HTRA1 Q92743 1/20 0.40
UCHL1 P09936 1/20 0.38
RORC P51449 1/20 0.38
CYP1A2 P05177 1/20 0.38
POLB P06746 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2C19 P33261 1/20 0.38
MMP2 P08253 2/20 0.37
GPR119 Q8TDV5 1/20 0.37
KLK5 Q9Y337 1/20 0.37
PDE4B Q07343 2/20 0.36
ANPEP P15144 1/20 0.36
KDM4E B2RXH2 1/20 0.36
PKM P14618 1/20 0.36
NAMPT P43490 1/20 0.36
USP30 Q70CQ3 2/20 0.36

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
SCHEMBL992574 0.86 KCNN4 (0.43) CYP1A2POLBCYP3A4CYP2C19MMP2
SCHEMBL992573 0.86 KCNN4 (0.43) CYP1A2POLBCYP3A4CYP2C19MMP2
SCHEMBL2298094 0.86 KCNN4 (0.43) CYP1A2POLBCYP3A4CYP2C19MMP2
SCHEMBL2278207 0.80 NR1H2 (0.48) NR1H2NR1H3PTPN1HTRA1CYP1A2
SCHEMBL3786077 0.80 NR1H2 (0.48) NR1H2NR1H3PTPN1HTRA1CYP1A2
SCHEMBL2798703 0.80 NR1H2 (0.48) NR1H2NR1H3PTPN1HTRA1CYP1A2
SCHEMBL30401835 0.79 NR1H2 (0.47) NR1H2NR1H3PTPN1HTRA1CYP1A2
SCHEMBL5401096 0.77 NR1H2 (0.42) NR1H2NR1H3PTPN1HTRA1UCHL1
SCHEMBL15718883 0.77 HTRA1 (0.60) NR1H2NR1H3PTPN1HTRA1UCHL1
SCHEMBL14254719 0.77 HTRA1 (0.60) NR1H2NR1H3PTPN1HTRA1UCHL1

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-20050288376-A1 Bicyclyl or heterobicyclylmethanesulfonylanimo-substituted N-hydroxyformamides SMITHKLINE BEECHAM PLC 2005-12-29 US disclosed
EP-1289980-B1 BICYCLYL OR HETEROBICYCLYLMETHANESULFONYLAMINO-SUBSTITUTED N-HYDROXYFORMAMIDES SMITHKLINE BEECHAM PLC (GB) 2004-11-17 EP disclosed
US-20040024066-A1 Bicyclyl or heterobicyclylmethanesulfonylamino-substituted n-hydroxyformamides SMITHKLINE BEECHAM P.L.C. (GB) 2004-02-05 US 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 (2 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-20050288376-A1 Bicyclyl or heterobicyclylmethanesulfonylanimo-substituted N-hydroxyformamides CD22, CD2, NEU3 NR1H2 3358/4885NR1H3 2515/4885PTPN1 3079/4885
US-20040024066-A1 Bicyclyl or heterobicyclylmethanesulfonylamino-substituted n-hydroxyformamides CD22, CD2, NEU3 NR1H2 3574/4885NR1H3 2682/4885PTPN1 2643/4885

“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.