SCHEMBL6224464

SCHEMBL6224464

CSc1nccc(C(=O)N2[C@H](C(=O)O)CCCN2CC(=O)c2ccc(F)cc2)n1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.36
MEN1 O00255 1/20 0.36
ALDH1A1 P00352 4/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
HRH3 Q9Y5N1 2/20 0.36
LMNA P02545 1/20 0.36
GAA P10253 1/20 0.36
MAPT P10636 1/20 0.36
HTT P42858 2/20 0.35
KDM4E B2RXH2 1/20 0.35
TSHR P16473 1/20 0.35
HTR2A P28223 5/20 0.35
HTR2C P28335 2/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
KCNH2 Q12809 1/20 0.35
THRB P10828 1/20 0.34
ALOX12 P18054 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
RAF1 P04049 1/20 0.33
PDGFRB P09619 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
SCHEMBL6224469 1.00 KMT2A (0.36) KMT2AMEN1ALDH1A1SMN1; SMN2HRH3
SCHEMBL6202498 0.74 SCN9A (0.39) KMT2AMEN1ALDH1A1SMN1; SMN2LMNA
SCHEMBL6201021 0.69 CNR2 (0.36) KMT2AALDH1A1
SCHEMBL5771051 0.67 CES1 (0.47) KMT2AALDH1A1SMN1; SMN2LMNAGAA
SCHEMBL2891578 0.65 LMNA (0.42) ALDH1A1SMN1; SMN2LMNAGAAMAPT
SCHEMBL1554048 0.65 RAB9A (0.54) KMT2AALDH1A1SMN1; SMN2LMNAGAA
SCHEMBL6199767 0.64 MAPK13 (0.49)
SCHEMBL6204650 0.64 MAPK13 (0.49)
SCHEMBL4406292 0.64 ALDH1A1 (0.41) KMT2AMEN1ALDH1A1SMN1; SMN2LMNA
SCHEMBL6202278 0.64 KDM4E (0.36) LMNAKDM4EL3MBTL1NPSR1

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 KMT2A 3906/4885MEN1 3384/4885ALDH1A1 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.