SCHEMBL9108517

SCHEMBL9108517

C[C@H](Sc1nc(N[C@@H](CO)CC(C)(C)F)c2sc(N)nc2n1)c1ccccc1I

nearest known ligand 0.65

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CX3CR1 P49238 19/20 0.65
CXCR2 P25025 18/20 0.65
ADORA1 P30542 1/20 0.59

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
SCHEMBL214656 0.91 CXCR2 (0.79) CX3CR1CXCR2ADORA1
SCHEMBL1872128 0.88 CX3CR1 (0.77) CX3CR1CXCR2ADORA1
SCHEMBL1589096 0.88 CX3CR1 (0.77) CX3CR1CXCR2ADORA1
SCHEMBL9106210 0.88 CX3CR1 (0.80) CX3CR1CXCR2ADORA1
SCHEMBL214430 0.80 CXCR2 (0.64) CX3CR1CXCR2ADORA1
SCHEMBL20455391 0.79 CX3CR1 (1.00) CX3CR1CXCR2ADORA1
SCHEMBL31199186 0.79 CX3CR1 (1.00) CX3CR1CXCR2ADORA1
SCHEMBL18312509 0.79 CX3CR1 (1.00) CX3CR1CXCR2ADORA1
SCHEMBL215431 0.79 CX3CR1 (1.00) CX3CR1CXCR2ADORA1
SCHEMBL212589 0.79 CXCR2 (0.62) CX3CR1CXCR2ADORA1

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-8435993-B2 Methods of inhibiting metastasis from cancer PHILADELPHIA HEALTH AND EDUCATION CORPORATION (US) 2013-05-07 US disclosed
US-20120141471-A1 Methods of Inhibiting Metastasis from Cancer Alliance Discovery, Inc. 2012-06-07 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-20120141471-A1 Methods of Inhibiting Metastasis from Cancer CX3CR1, CXCR3, CCR5 CX3CR1 1/4885CXCR2 7/4885ADORA1 336/4885

“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.