SCHEMBL6893514

SCHEMBL6893514

CC(C)(C)C(C)(NC(=O)O)c1nc2cc(C(F)(F)F)c(Cl)cc2n1-c1ccc(CCO)cc1

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
IRAK4 Q9NWZ3 2/20 0.36
MAP3K7 O43318 1/20 0.36
IRAK1 P51617 1/20 0.36
TRPV1 Q8NER1 2/20 0.35
NOTUM Q6P988 5/20 0.35
CNR1 P21554 2/20 0.33
CNR2 P34972 1/20 0.33
TP53 P04637 1/20 0.33
MAPT P10636 1/20 0.33
CRBN Q96SW2 1/20 0.33
PTGDR2 Q9Y5Y4 2/20 0.33
PPARG P37231 2/20 0.32
RHEB Q15382 1/20 0.32
PPARD Q03181 1/20 0.32
PPARA Q07869 1/20 0.32
DDT P30046 1/20 0.32
GNRHR P30968 1/20 0.32
ABCB11 O95342 1/20 0.32

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
SCHEMBL1625592 0.86 IRAK4 (0.36) IRAK4MAP3K7IRAK1TRPV1NOTUM
SCHEMBL6897561 0.82 PTGER4 (0.49) MAPTGNRHR
SCHEMBL1624237 0.80 NOTUM (0.39) IRAK4MAP3K7IRAK1TRPV1NOTUM
SCHEMBL6893506 0.77 CXCR3 (0.36) IRAK4MAP3K7IRAK1TRPV1NOTUM
SCHEMBL1626403 0.77 AR (0.37) IRAK4NOTUMCRBN
SCHEMBL1626400 0.76 RAF1 (0.34) IRAK4NOTUMCNR1CNR2CRBN
SCHEMBL3946033 0.76 RAF1 (0.34) IRAK4TRPV1NOTUMCNR1CNR2
SCHEMBL1626543 0.76 NOTUM (0.38) IRAK4MAP3K7IRAK1TRPV1NOTUM
SCHEMBL1626899 0.76 ESR1 (0.39) IRAK4MAP3K7IRAK1TRPV1NOTUM
SCHEMBL1624634 0.75 RAF1 (0.34) NOTUMPTGDR2PPARGPPARDPPARA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6710054-B2 CONTAINING SULFONYLAMINOCARBONYL GROUPS; PROSTAGLANDIN INHIBITORS PFIZER INC 2004-03-23 US disclosed
US-20020107273-A1 Aryl or heteroaryl fused imidazole compounds as anti-inflammatory and analgesic agents ASKAT INC. (JP) 2002-08-08 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-20020107273-A1 Aryl or heteroaryl fused imidazole compounds as anti-inflammatory and analgesic agents PTGS1, PTGS2, OPRM1 IRAK4 930/4885MAP3K7 3234/4885IRAK1 699/4885

“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.