SCHEMBL6667095

SCHEMBL6667095

CC(C)(C)OC(=O)N1CCC=C([Sn](C)(C)C)C1

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 1/20 0.45
NR1H2 P55055 2/20 0.44
MAPK1 P28482 1/20 0.44
USP2 O75604 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
MAPT P10636 2/20 0.41
ALDH1A1 P00352 1/20 0.41
LMNA P02545 1/20 0.41
GPR119 Q8TDV5 3/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
ADORA1 P30542 1/20 0.39
PDK4 Q16654 1/20 0.38
KDM4E B2RXH2 1/20 0.38
THRB P10828 1/20 0.38
PTPN2 P17706 1/20 0.38
PTPN1 P18031 1/20 0.38
PTPN6 P29350 1/20 0.38

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
SCHEMBL12519920 0.81 ESR2 (0.47) ESR2NR1H2MAPK1USP2SMN1; SMN2
SCHEMBL18556946 0.81 ESR2 (0.50) ESR2NR1H2MAPK1USP2SMN1; SMN2
SCHEMBL30262739 0.79 ESR2 (0.46) ESR2NR1H2MAPK1USP2SMN1; SMN2
SCHEMBL28060814 0.79 ESR2 (0.46) ESR2NR1H2MAPK1USP2SMN1; SMN2
SCHEMBL17038010 0.79 ESR2 (0.46) ESR2NR1H2MAPK1USP2SMN1; SMN2
SCHEMBL25342701 0.79 ESR2 (0.49) ESR2NR1H2MAPK1USP2SMN1; SMN2
SCHEMBL6216656 0.78 NR1H2 (0.47) ESR2NR1H2MAPK1USP2SMN1; SMN2
SCHEMBL2270068 0.78 ESR2 (0.45) ESR2NR1H2MAPK1USP2SMN1; SMN2
SCHEMBL29333593 0.78 ESR2 (0.48) ESR2NR1H2MAPK1USP2SMN1; SMN2
SCHEMBL1733879 0.77 PDK4 (0.51) ESR2NR1H2USP2SMN1; SMN2GPR119

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6809199-B2 ANTIINFLAMMATORY AGENTS; RHEUMATIC DISEASES MERCK & CO., INC. 2004-10-26 US disclosed
EP-1345603-A4 (HALO-BENZO CARBONYL)HETEROCYCLO FUSED PHENYL P38 KINASE INHIBITING AGENTS MERCK & CO INC (US) 2004-09-08 EP disclosed
EP-1345603-A1 (HALO-BENZO CARBONYL)HETEROCYCLO FUSED PHENYL P38 KINASE INHIBITING AGENTS Merck & Co., Inc. (US) 2003-09-24 EP disclosed
WO-2002058695-A9 (HALO-BENZO CARBONYL)HETEROCYCLO FUSED PHENYL P38 KINASE INHIBITING AGENTS MERCK & CO INC (US) 2003-09-12 WO disclosed
US-20030092712-A1 (Halo-benzo carbonyl)heterocyclo fused phenyl p38 kinase inhibiting agents MERCK SHARP & DOHME CORP. 2003-05-15 US disclosed
WO-2002058695-A1 (HALO-BENZO CARBONYL)HETEROCYCLO FUSED PHENYL P38 KINASE INHIBITING AGENTS MERCK & CO., INC. (US) 2002-08-01 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-20030092712-A1 (Halo-benzo carbonyl)heterocyclo fused phenyl p38 kinase inhibiting agents MAPK1, MAPK7, MAPKAPK2 ESR2 3704/4885NR1H2 872/4885MAPK1 1/4885

“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.