SCHEMBL6202738

SCHEMBL6202738

CSN1C=NC=CC1c1c(-c2ccc(F)cc2)c(=O)n2n1CCCC2C(=O)O

nearest known ligand 0.33

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.33
ALOX12 P18054 1/20 0.33
KMT2A Q03164 1/20 0.33
MAPK13 O15264 6/20 0.32
MAPK12 P53778 6/20 0.32
MAPK11 Q15759 6/20 0.32
MAPK14 Q16539 6/20 0.32
ALDH1A1 P00352 1/20 0.30

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
SCHEMBL6203273 0.91 SCN9A (0.37) MAPK13MAPK12MAPK11MAPK14
SCHEMBL6204621 0.76 SCN9A (0.35) MAPK13MAPK12MAPK11MAPK14
SCHEMBL6202731 0.70 MAPK13 (0.35) THRBALOX12KMT2AMAPK13MAPK12
SCHEMBL6204616 0.69 SLC6A9 (0.39) THRBALOX12KMT2AALDH1A1
SCHEMBL6199767 0.66 MAPK13 (0.49) MAPK13MAPK12MAPK11MAPK14
SCHEMBL6204650 0.66 MAPK13 (0.49) MAPK13MAPK12MAPK11MAPK14
SCHEMBL6199679 0.63 MAPK14 (0.48) MAPK13MAPK12MAPK11MAPK14
SCHEMBL6203113 0.63 MAPK14 (0.73) MAPK13MAPK12MAPK11MAPK14
SCHEMBL6203111 0.63 MAPK14 (0.73) MAPK13MAPK12MAPK11MAPK14
SCHEMBL6202147 0.62 MAPK14 (0.51) MAPK13MAPK12MAPK11MAPK14

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
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
US-20030105084-A1 Compound which inhibit the release of inflammatory cytokines THE PROCTER & GAMBLE COMPANY 2003-06-05 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 (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 THRB 1171/4885ALOX12 671/4885KMT2A 3906/4885

“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.