SCHEMBL20455488

SCHEMBL20455488

CC(C)CC(CO)Nc1nc(SCc2ccc(F)cc2)nc2nc(N)sc12

nearest known ligand 0.83

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CX3CR1 P49238 19/20 0.83
CXCR2 P25025 19/20 0.83

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
SCHEMBL18312611 1.00 CX3CR1 (0.83) CX3CR1CXCR2
SCHEMBL5233725 0.91 CX3CR1 (0.84) CX3CR1CXCR2
SCHEMBL5233712 0.91 CX3CR1 (0.84) CX3CR1CXCR2
SCHEMBL5233579 0.91 CX3CR1 (0.76) CX3CR1CXCR2
SCHEMBL5232254 0.91 CX3CR1 (1.00) CX3CR1CXCR2
SCHEMBL5233566 0.91 CX3CR1 (0.76) CX3CR1CXCR2
SCHEMBL5232266 0.91 CX3CR1 (1.00) CX3CR1CXCR2
SCHEMBL5233311 0.90 CX3CR1 (1.00) CX3CR1CXCR2
SCHEMBL5233299 0.90 CX3CR1 (1.00) CX3CR1CXCR2
SCHEMBL5232175 0.90 CX3CR1 (0.80) CX3CR1CXCR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180222922-A1 RADIOFLUORINATED 7-AMINO-5-THIO-THIAZOLO[4,5-D]PYRIMIDINES FOR IMAGING FRACTALKINE RECEPTOR (CX3CR1) THE JOHNS HOPKINS UNIVERSITY (US) 2018-08-09 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-20180222922-A1 RADIOFLUORINATED 7-AMINO-5-THIO-THIAZOLO[4,5-D]PYRIMIDINES FOR IMAGING FRACTALKINE RECEPTOR (CX3CR1) CX3CR1, CXCR3, CXCR5 CX3CR1 1/4885CXCR2 15/4885

“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.