SCHEMBL6202278

SCHEMBL6202278

COC(=O)[C@@H]1CCCN(C(=O)OC(C)(C)C)N1C(=O)c1ccnc(SC)n1

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.36
POLB P06746 2/20 0.36
DDB1 Q16531 1/20 0.35
CRBN Q96SW2 1/20 0.35
NPC1 O15118 2/20 0.35
L3MBTL1 Q9Y468 2/20 0.34
CNR2 P34972 2/20 0.34
LMNA P02545 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
NR1H2 P55055 1/20 0.33
NR1H3 Q13133 1/20 0.33
JAK2 O60674 1/20 0.33
JAK1 P23458 1/20 0.33
UCHL1 P09936 2/20 0.33
RAB9A P51151 1/20 0.33
KLK5 Q9Y337 1/20 0.33
GPR119 Q8TDV5 1/20 0.33
FAP Q12884 1/20 0.33

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
SCHEMBL6201021 0.88 CNR2 (0.36) NPC1CNR2JAK2RAB9A
SCHEMBL6202498 0.81 SCN9A (0.39) NPC1CNR2LMNA
SCHEMBL19479525 0.75 CTSK (0.43) POLBNPC1LMNANPSR1UCHL1
SCHEMBL15447605 0.75 CTSK (0.43) POLBNPC1LMNANPSR1UCHL1
SCHEMBL6201478 0.71 JAK2 (0.33) KDM4ECNR2LMNAJAK2
SCHEMBL9207334 0.69 GPR119 (0.47) KDM4ENPC1LMNANPSR1NR1H2
SCHEMBL6636072 0.68 USP30 (0.44) DDB1CRBNNPC1L3MBTL1JAK1
SCHEMBL25063295 0.67 ALDH1A1 (0.41) KDM4EPOLBNPC1L3MBTL1LMNA
SCHEMBL23929008 0.66 GPR119 (0.48) KDM4EDDB1CRBNJAK2JAK1
SCHEMBL19090128 0.66 CTSK (0.36) NPC1LMNANPSR1NR1H2NR1H3

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 KDM4E 2023/4885POLB 2934/4885DDB1 2139/4885

“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.