SCHEMBL6202498

SCHEMBL6202498

COC(=O)C1CCCN(C(=O)c2ccnc(SC)n2)N1C(=O)c1ccc(F)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 2/20 0.39
FPR2 P25090 1/20 0.39
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 0.36
GAA P10253 1/20 0.36
MAPT P10636 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
GRM2 Q14416 1/20 0.36
KMT2A Q03164 3/20 0.35
CNR2 P34972 2/20 0.35
MEN1 O00255 1/20 0.35
NPC1 O15118 1/20 0.35
CCNE1 P24864 2/20 0.34
CDK2 P24941 2/20 0.34
CDK4 P11802 1/20 0.34
CCND1 P24385 1/20 0.34
CCND3 P30281 1/20 0.34
CDK7 P50613 1/20 0.34
CCNH P51946 1/20 0.34
MNAT1 P51948 1/20 0.34

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 0.85 CNR2 (0.36) ALDH1A1KMT2ACNR2NPC1
SCHEMBL6202278 0.81 KDM4E (0.36) LMNACNR2NPC1
SCHEMBL6224464 0.74 KMT2A (0.36) ALDH1A1LMNAGAAMAPTSMN1; SMN2
SCHEMBL6224469 0.74 KMT2A (0.36) ALDH1A1LMNAGAAMAPTSMN1; SMN2
SCHEMBL6201478 0.71 JAK2 (0.33) ALDH1A1LMNAGAAMAPTSMN1; SMN2
SCHEMBL4859291 0.69 USP2 (0.39) ALDH1A1LMNAGAAMAPTSMN1; SMN2
SCHEMBL6204867 0.69 MAPK13 (0.49)
SCHEMBL5771051 0.67 CES1 (0.47) ALDH1A1LMNAGAAMAPTSMN1; SMN2
SCHEMBL4853567 0.65 USP2 (0.41) ALDH1A1LMNAGAAMAPTSMN1; SMN2
SCHEMBL3879118 0.65 KMT2A (0.40) ALDH1A1LMNAMAPTSMN1; SMN2KMT2A

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-1427727-B1 COMPOUNDS WHICH INHIBIT THE RELEASE OF INFLAMMATORY CYTOKINES PROCTER & GAMBLE (US) 2005-01-26 EP 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 SCN9A 1733/4885FPR2 85/4885ALDH1A1 221/4885

“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.