SCHEMBL5672995

SCHEMBL5672995

CC(C)CC(Nc1cc(CCC[Si](C)(C)C)nc(Cl)n1)C(=O)O

nearest known ligand 0.39

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.39
HTT P42858 1/20 0.39
GRN P28799 3/20 0.38
SORT1 Q99523 3/20 0.38
CXCR2 P25025 11/20 0.38
ALDH1A1 P00352 2/20 0.36
LMNA P02545 1/20 0.36
KDM4E B2RXH2 1/20 0.35

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
SCHEMBL5672153 0.88 CXCR2 (0.44) MAPTHTTGRNSORT1CXCR2
SCHEMBL5672212 0.86 MAPT (0.42) MAPTHTTGRNSORT1CXCR2
SCHEMBL5672221 0.79 MAPT (0.49) MAPTHTTGRNSORT1ALDH1A1
SCHEMBL6825316 0.78 MAPT (0.45) MAPTHTTGRNSORT1ALDH1A1
SCHEMBL7067901 0.69 ESR1 (0.40) CXCR2
SCHEMBL6825770 0.69 ESR1 (0.40) CXCR2
SCHEMBL6508736 0.67 NPR3 (0.53)
SCHEMBL6508740 0.67 NPR3 (0.53)
SCHEMBL5672887 0.67 CXCR2 (0.54) MAPTCXCR2ALDH1A1
SCHEMBL5672899 0.67

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-2004062609-A2 PYRIMIDINE DERIVATIVES AS IL-8 RECEPTOR ANTAGONISTS PHARMACOPEIA, INC. (US) 2004-07-29 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 MAPT 4048/4885HTT 4337/4885GRN 3905/4885

“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.