SCHEMBL6204853

SCHEMBL6204853

CC(C)(C)OC(=O)N1Cc2ccccc2CN1C(=O)O

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.48
NAMPT P43490 6/20 0.47
GPR119 Q8TDV5 1/20 0.43
ESR2 Q92731 1/20 0.43
BCHE P06276 1/20 0.42
NOTUM Q6P988 1/20 0.41
PRMT5 O14744 2/20 0.40
WDR77 Q9BQA1 2/20 0.40
NR1H2 P55055 1/20 0.39
KDM4E B2RXH2 1/20 0.39
PKM P14618 1/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 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
SCHEMBL6204851 0.93 MAPK1 (0.52) MAPK1NAMPTGPR119ESR2BCHE
SCHEMBL29676965 0.80 MAPK1 (0.64) MAPK1NAMPTGPR119ESR2NOTUM
SCHEMBL5183098 0.80 MAPK1 (0.64) MAPK1NAMPTGPR119ESR2NOTUM
SCHEMBL25259475 0.76 MAPK1 (0.41) MAPK1NAMPTGPR119ESR2BCHE
SCHEMBL29369046 0.73 ESR2 (0.70) MAPK1NAMPTESR2NOTUMPRMT5
SCHEMBL1202402 0.73 ESR2 (0.70) MAPK1NAMPTESR2NOTUMPRMT5
SCHEMBL2080858 0.73 ACE (0.59)
SCHEMBL430268 0.73 BCHE (0.48) MAPK1NAMPTGPR119ESR2BCHE
SCHEMBL14067913 0.73 ACE (0.59)
SCHEMBL66871 0.73 ACE (0.59)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1257905-C Compounds for inhibiting the release of inflammatory cytokines PROCTER & GAMBLE (US) 2006-05-31 CN disclosed
EP-1427727-B1 COMPOUNDS WHICH INHIBIT THE RELEASE OF INFLAMMATORY CYTOKINES PROCTER & GAMBLE (US) 2005-01-26 EP disclosed
CN-1555375-A compounds that inhibit inflammatory cytokine release 2004-12-15 CN disclosed
US-6821971-B2 FOR PROPHYALXIS OF RHEUMATOID ARTHRITIS, OSTEOARTHRITIS, INFLAMMATORY BOWEL DISEASE (IBS), SEPTIC SHOCK, CARDIOPULMONARY DYSFUNCTION, ACUTE RESPIRATORY DISEASE, CACHEXIA THE PROCTER & GAMBLE COMPANY 2004-11-23 US disclosed
EP-1427727-A1 COMPOUNDS WHICH INHIBIT THE RELEASE OF INFLAMMATORY CYTOKINES THE PROCTER & GAMBLE COMPANY (US) 2004-06-16 EP disclosed
US-20030105084-A1 Compound which inhibit the release of inflammatory cytokines THE PROCTER & GAMBLE COMPANY 2003-06-05 US disclosed
WO-2003024970-A1 COMPOUNDS WHICH INHIBIT THE RELEASE OF INFLAMMATORY CYTOKINES THE PROCTER & GAMBLE COMPANY (US) 2003-03-27 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-20030105084-A1 Compound which inhibit the release of inflammatory cytokines IL1B, IL1A, TNF MAPK1 926/4885NAMPT 3679/4885GPR119 510/4885

“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.