SCHEMBL3409970

SCHEMBL3409970

O=C(O)CCN1CC(F)(F)C(F)(F)C1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GLA P06280 1/20 0.45
APEX1 P27695 2/20 0.44
CYP1A2 P05177 2/20 0.38
MAPK1 P28482 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
LMNA P02545 4/20 0.35
ALKBH5 Q6P6C2 1/20 0.35
SUCNR1 Q9BXA5 1/20 0.35
EGLN1 Q9GZT9 1/20 0.35
ALDH1A1 P00352 2/20 0.33
PKM P14618 1/20 0.33
ITGB3 P05106 2/20 0.33
ITGA2B P08514 2/20 0.33
HSD17B10 Q99714 1/20 0.32
SLC22A6 Q4U2R8 1/20 0.32
EGLN3 Q9H6Z9 2/20 0.31
POLB P06746 1/20 0.31
MAPT P10636 1/20 0.31
TSHR P16473 1/20 0.31
NFKB1 P19838 1/20 0.31

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
SCHEMBL1184706 0.76 HSD17B10 (0.41) ALDH1A1HSD17B10TSHR
SCHEMBL15043614 0.76 APEX1 (0.51) GLAAPEX1CYP1A2MAPK1SMN1; SMN2
SCHEMBL19720585 0.74 CYP1A2 (0.53) GLAAPEX1CYP1A2MAPK1SMN1; SMN2
Hydrochloric Acid SCHEMBL10391597 0.72 APEX1 (0.49) GLAAPEX1CYP1A2MAPK1SMN1; SMN2
SCHEMBL31536670 0.72 GLA (0.50) GLAAPEX1CYP1A2MAPK1SMN1; SMN2
SCHEMBL7027263 0.72 GLA (0.67) GLAAPEX1CYP1A2MAPK1SMN1; SMN2
SCHEMBL1069692 0.72
SCHEMBL6536452 0.72 GLA (0.67) GLAAPEX1CYP1A2MAPK1SMN1; SMN2
SCHEMBL3973280 0.72 GLA (0.67) GLAAPEX1CYP1A2MAPK1SMN1; SMN2
Ammonia Solution, Strong SCHEMBL9352555 0.70

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8268828-B2 Inhibitors of the chemokine receptor CxCR3 SANOFI (FR) 2012-09-18 US disclosed
EP-2262784-A1 INHIBITORS OF THE CHEMOKINE RECEPTOR CXCR3 Sanofi-Aventis (FR) 2010-12-22 EP disclosed
US-20100305088-A1 INHIBITORS OF THE CHEMOKINE RECEPTOR CxCR3 SANOFI-AVENTIS (FR) 2010-12-02 US disclosed
WO-2009105435-A1 INHIBITORS OF THE CHEMOKINE RECEPTOR CXCR3 SANOFI-AVENTIS (FR) 2009-08-27 WO 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-20100305088-A1 INHIBITORS OF THE CHEMOKINE RECEPTOR CxCR3 CXCR3, CXCR1, ACKR3 GLA 4774/4885APEX1 1895/4885CYP1A2 4316/4885

“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.