SCHEMBL5672983

SCHEMBL5672983

O=C(c1cccc(OC(F)(F)F)c1)C(Br)Br

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ GSK3B P49841 2/20 0.51
▸ TAS1R3 Q7RTX0 1/20 0.49
▸ TAS1R1 Q7RTX1 1/20 0.49
▸ TAS1R2 Q8TE23 1/20 0.49
▸ KAT6A Q92794 4/20 0.48
▸ HDAC8 Q9BY41 1/20 0.47
▸ GPR139 Q6DWJ6 1/20 0.45
▸ HSD11B1 P28845 1/20 0.44
▸ MGLL Q99685 1/20 0.43
▸ MAOB P27338 1/20 0.43
▸ ALDH1A1 P00352 1/20 0.43
▸ GAA P10253 1/20 0.43
▸ MAPT P10636 1/20 0.43
▸ HPGD P15428 1/20 0.43
▸ ALOX15 P16050 1/20 0.43
▸ TSHR P16473 1/20 0.43
▸ HTT P42858 1/20 0.43
▸ TRPM8 Q7Z2W7 1/20 0.43

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
SCHEMBL19707325 0.88 HDAC8 (0.51) TAS1R3TAS1R1TAS1R2KAT6AHDAC8
SCHEMBL19707366 0.85 TAS1R3 (0.45) TAS1R3TAS1R1TAS1R2KAT6AHDAC8
SCHEMBL14099677 0.84 HDAC8 (0.56) TAS1R3TAS1R1TAS1R2KAT6AHDAC8
SCHEMBL19707231 0.84 TAS1R3 (0.47) TAS1R3TAS1R1TAS1R2KAT6AHDAC8
SCHEMBL19707234 0.82 TAS1R3 (0.46) TAS1R3TAS1R1TAS1R2KAT6AHDAC8
SCHEMBL19707370 0.82 TAS1R3 (0.46) TAS1R3TAS1R1TAS1R2KAT6AHDAC8
SCHEMBL30117137 0.81 KAT6A (0.51) TAS1R3TAS1R1TAS1R2KAT6AHDAC8
SCHEMBL29072684 0.81 KAT6A (0.51) TAS1R3TAS1R1TAS1R2KAT6AHDAC8
SCHEMBL690501 0.81 KAT6A (0.54) TAS1R3TAS1R1TAS1R2KAT6AHDAC8
SCHEMBL27993342 0.80 KAT6A (0.50) TAS1R3TAS1R1TAS1R2KAT6AHDAC8

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
US-7037916-B2 Pyrimidine derivatives as IL-8 receptor antagonists PHARMACOPEIA DRUG DISCOVERY, INC. (US) 2006-05-02 — — US disclosed
WO-2004069829-A1 (2S)-2-((PYRIMIDIN-4-YL)AMINO)-4-METHYLPENTANOIC ACID AMINOETHYLAMID DERIVATIVES AS IL-8 RECEPTOR MODULATORS FOR THE TREATMENT OF ATHEROSCLEROSIS AND RHEUMATOID ARTHRITIS PHARMACOPEIA DRUG DISCOVERY, INC. (US) 2004-08-19 — — WO disclosed
US-20040087601-A1 Pyrimidine derivatives as IL-8 receptor antagonists PHARMACOPEIA, LLC 2004-05-06 — — 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-20040087601-A1 Pyrimidine derivatives as IL-8 receptor antagonists CXCL8, IL1RN, IL18 GSK3B 4364/4885TAS1R3 1366/4885TAS1R1 1082/4885

“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.

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