SCHEMBL6204616

SCHEMBL6204616

CSc1cccc(-c2c(-c3ccc(F)cc3)c(=O)n3n2CCCC3C(=O)O)c1

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SLC6A9 P48067 7/20 0.39
HCRTR1 O43613 4/20 0.38
LMNA P02545 3/20 0.38
MAPT P10636 2/20 0.38
KMT2A Q03164 2/20 0.38
ALDH1A1 P00352 2/20 0.38
MEN1 O00255 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
TGFBR1 P36897 1/20 0.37
UBE2M P61081 1/20 0.37
DCUN1D1 Q96GG9 1/20 0.37
HTT P42858 1/20 0.36
THRB P10828 1/20 0.35
ALOX12 P18054 1/20 0.35
HCRTR2 O43614 3/20 0.35
PDE4A P27815 1/20 0.35
PDE4B Q07343 1/20 0.35
PDE4D Q08499 1/20 0.35
GYS1 P13807 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
SCHEMBL6204889 0.90 SCN9A (0.39) HCRTR1LMNAMAPTKMT2AALDH1A1
SCHEMBL6204099 0.76 SCN9A (0.50) KMT2AALDH1A1MEN1HTT
SCHEMBL6202731 0.75 MAPK13 (0.35) KMT2AALDH1A1THRBALOX12
SCHEMBL6204650 0.72 MAPK13 (0.49)
SCHEMBL6199767 0.72 MAPK13 (0.49)
SCHEMBL6202147 0.70 MAPK14 (0.51)
SCHEMBL6199679 0.69 MAPK14 (0.48)
SCHEMBL6202738 0.69 THRB (0.33) KMT2AALDH1A1THRBALOX12
SCHEMBL6203113 0.69 MAPK14 (0.73)
SCHEMBL6203111 0.69 MAPK14 (0.73)

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 SLC6A9 3865/4885HCRTR1 699/4885LMNA 4074/4885

“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.