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SCHEMBL4591584

SCHEMBL4591584

CCc1c(N)cc(Cl)c(CC)c1NC(=O)N(Cc1ccc(S(C)(=O)=O)cc1)c1ccc(C(C)C)cc1

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ CNR2 P34972 6/20 0.37
▸ MEN1 O00255 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ CNR1 P21554 4/20 0.35
▸ RORC P51449 1/20 0.34
▸ MAPK8 P45983 2/20 0.34
▸ MAPK9 P45984 2/20 0.34
▸ MAPK10 P53779 2/20 0.34
▸ CYP3A4 P08684 1/20 0.33
▸ PDE4A P27815 1/20 0.33
▸ PDE4B Q07343 1/20 0.33
▸ PDE4C Q08493 1/20 0.33
▸ PDE4D Q08499 1/20 0.33
▸ TP53 P04637 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ PRKD3 O94806 1/20 0.33
▸ MAPK1 P28482 1/20 0.33
▸ PRKD2 Q9BZL6 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
SCHEMBL27724006 0.91 PSMB5 (0.35) CNR2RORCMAPK8MAPK9MAPK10
SCHEMBL4592219 0.91 MAPT (0.37) CNR2CYP3A4TP53MAPT
SCHEMBL4592510 0.90 CYP3A4 (0.39) CNR2MEN1KMT2ACNR1CYP3A4
SCHEMBL4592628 0.89 CNR2 (0.38) CNR2CNR1CYP3A4TP53MAPT
SCHEMBL4592269 0.88 PDK1 (0.38) CNR2CNR1TP53MAPT
SCHEMBL4592145 0.86 BCL2A1 (0.41) MEN1KMT2ACYP3A4TP53MAPT
SCHEMBL14620537 0.86 CYP3A4 (0.33) CNR2CYP3A4MAPT
SCHEMBL4592643 0.86 PDK1 (0.40) TP53MAPT
SCHEMBL4592388 0.84 MAPT (0.38) MEN1KMT2ACYP3A4MAPT
SCHEMBL4592072 0.84 KCNH2 (0.37) CNR1RORCCYP3A4

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8071810-B2 3-(3-Amino-2,6-diisopropyl-phenyl)-1-(4-isopropyl-phenyl)-1-(4-methoxy-benzyl)-urea; autoimmune disorders; inflammation JERINI AG (DE) 2011-12-06 — — US claimed
US-20080220003-A1 C5a Receptor Antagonists JERINI AG (DE) 2008-09-11 — — US claimed
US-8071810-B2 3-(3-Amino-2,6-diisopropyl-phenyl)-1-(4-isopropyl-phenyl)-1-(4-methoxy-benzyl)-urea; autoimmune disorders; inflammation JERINI AG (DE) 2011-12-06 — — US disclosed
US-8071810-B2 3-(3-Amino-2,6-diisopropyl-phenyl)-1-(4-isopropyl-phenyl)-1-(4-methoxy-benzyl)-urea; autoimmune disorders; inflammation JERINI AG (DE) 2011-12-06 — — US disclosed
US-8071810-B2 3-(3-Amino-2,6-diisopropyl-phenyl)-1-(4-isopropyl-phenyl)-1-(4-methoxy-benzyl)-urea; autoimmune disorders; inflammation JERINI AG (DE) 2011-12-06 — — US disclosed
US-20080220003-A1 C5a Receptor Antagonists JERINI AG (DE) 2008-09-11 — — US disclosed
US-20080220003-A1 C5a Receptor Antagonists JERINI AG (DE) 2008-09-11 — — US disclosed
US-20080220003-A1 C5a Receptor Antagonists JERINI AG (DE) 2008-09-11 — — US disclosed
EP-1885691-A1 C5A RECEPTOR ANTAGONISTS Jerini AG (DE) 2008-02-13 — — EP disclosed
WO-2006128670-A1 C5A RECEPTOR ANTAGONISTS JERINI AG (DE) 2006-12-07 — — 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-20080220003-A1 C5a Receptor Antagonists C3AR1, C5AR2, C5AR1 CNR2 14/4885MEN1 3390/4885KMT2A 2949/4885

“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.